[1-[6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C19H24N4O2 — CID 133361728

IUPAC[1-[6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCOc1cccc2c1CCC2Nc1cc(N2CCCC2CO)ncn1
InChIInChI=1S/C19H24N4O2/c1-25-17-6-2-5-14-15(17)7-8-16(14)22-18-10-19(21-12-20-18)23-9-3-4-13(23)11-24/h2,5-6,10,12-13,16,24H,3-4,7-9,11H2,1H3,(H,20,21,22)
InChIKeyOASVOHZWCHPEMR-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.55
Rot. Bonds5

About [1-[6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 133361728) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [1-[6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID133361728
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[1-[6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCOc1cccc2c1CCC2Nc1cc(N2CCCC2CO)ncn1
InChIInChI=1S/C19H24N4O2/c1-25-17-6-2-5-14-15(17)7-8-16(14)22-18-10-19(21-12-20-18)23-9-3-4-13(23)11-24/h2,5-6,10,12-13,16,24H,3-4,7-9,11H2,1H3,(H,20,21,22)
InChIKeyOASVOHZWCHPEMR-UHFFFAOYSA-N
XLogP2.55
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-[6-[2-(2-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763829
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
[(2R)-1-[6-[[(1S,2R)-2-methylcyclopropyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764095
[1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133491863
[(2S)-1-[6-[2-(3-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763919
[(2R)-1-[6-[(2-methoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763906
[(2R)-1-[6-[2-(3-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763918
4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 95763811
[(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95758167
[(2R)-1-[6-[2-(4-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763864
[(2S)-1-[6-[(2-methoxy-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763890
(4R)-2-[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 99773998

Frequently Asked Questions

What is the IUPAC name of [1-[6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 133361728) is [1-[6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is COc1cccc2c1CCC2Nc1cc(N2CCCC2CO)ncn1.
What is the InChIKey of [1-[6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is OASVOHZWCHPEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-17-6-2-5-14-15(17)7-8-16(14)22-18-10-19(21-12-20-18)23-9-3-4-13(23)11-24/h2,5-6,10,12-13,16,24H,3-4,7-9,11H2,1H3,(H,20,21,22).
What are the key properties of [1-[6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 340.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133361728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).