(1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol

C20H25N3O3 — CID 123573143

IUPAC(1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol
SMILESCO[C@H]1Cc2ccccc2[C@H]1Nc1cc(O[C@@H]2C[C@H](C)[C@@H](O)C2)ncn1
InChIInChI=1S/C20H25N3O3/c1-12-7-14(9-16(12)24)26-19-10-18(21-11-22-19)23-20-15-6-4-3-5-13(15)8-17(20)25-2/h3-6,10-12,14,16-17,20,24H,7-9H2,1-2H3,(H,21,22,23)/t12-,14+,16-,17-,20+/m0/s1
InChIKeyDUQUVEVOCGWLTC-RCVGXTDISA-N
MW355.44 g/mol
LogP2.74
Rot. Bonds5

About (1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol

(1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol (PubChem CID 123573143) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol
PubChem CID123573143
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol
SMILESCO[C@H]1Cc2ccccc2[C@H]1Nc1cc(O[C@@H]2C[C@H](C)[C@@H](O)C2)ncn1
InChIInChI=1S/C20H25N3O3/c1-12-7-14(9-16(12)24)26-19-10-18(21-11-22-19)23-20-15-6-4-3-5-13(15)8-17(20)25-2/h3-6,10-12,14,16-17,20,24H,7-9H2,1-2H3,(H,21,22,23)/t12-,14+,16-,17-,20+/m0/s1
InChIKeyDUQUVEVOCGWLTC-RCVGXTDISA-N
XLogP2.74
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol with MolForge

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Related Compounds

[(1S,2S,4R)-4-[6-[[(1R,2S)-5-chloro-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-hydroxycyclopentyl]methylsulfamic acid
CID 71272568
[(1S,2S,4R)-4-[6-[[(1R,2S)-5-chloro-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-hydroxycyclopentyl]methyl sulfamate
CID 71506753
[(1S,2S,4R)-2-hydroxy-4-[[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]amino]cyclopentyl]methylsulfamic acid
CID 71272473
[(1S,2S,4R)-2-hydroxy-4-[6-[[(1R,2S)-2-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]pyrimidin-4-yl]oxycyclopentyl] N-methylsulfamate
CID 150650403
[(1S,2S,4R)-4-[6-[[(1S,2R)-2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-hydroxycyclopentyl]methyl sulfamate
CID 59671400
6-(azetidin-3-yloxy)-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine
CID 165146876
[(1S,2S,4R)-2-hydroxy-4-[6-[[(1S,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]oxy]pyrimidin-4-yl]oxycyclopentyl]methyl sulfamate
CID 59671244
[(1S,2S,4R)-2-hydroxy-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]oxy]pyrimidin-4-yl]oxycyclopentyl]methyl sulfamate
CID 59671203
[(1S,3S)-3-[6-[[(1S,2R)-2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxycyclopentyl]methyl sulfamate
CID 87160174
[(1S,2S,4R)-4-[6-[[(1S,2R)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]oxy-2-hydroxycyclopentyl]methyl sulfamate
CID 59671252
1-N-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine
CID 63759429
N-[(1R,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 141199420

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol?
The IUPAC name of (1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol (CID 123573143) is (1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol.
What is the SMILES notation for (1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol?
The canonical SMILES for (1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol is CO[C@H]1Cc2ccccc2[C@H]1Nc1cc(O[C@@H]2C[C@H](C)[C@@H](O)C2)ncn1.
What is the InChIKey of (1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol?
The InChIKey is DUQUVEVOCGWLTC-RCVGXTDISA-N. The full InChI is InChI=1S/C20H25N3O3/c1-12-7-14(9-16(12)24)26-19-10-18(21-11-22-19)23-20-15-6-4-3-5-13(15)8-17(20)25-2/h3-6,10-12,14,16-17,20,24H,7-9H2,1-2H3,(H,21,22,23)/t12-,14+,16-,17-,20+/m0/s1.
What are the key properties of (1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol?
(1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol has a molecular weight of 355.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol is sourced from PubChem (CID 123573143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).