(1S,2S,4R)-4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylcyclopentan-1-ol

C18H23N5O — CID 123868395

IUPAC(1S,2S,4R)-4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylcyclopentan-1-ol
SMILESC[C@H]1C[C@@H](Nc2ncnc(N[C@H]3CCc4ccccc43)n2)C[C@@H]1O
InChIInChI=1S/C18H23N5O/c1-11-8-13(9-16(11)24)21-17-19-10-20-18(23-17)22-15-7-6-12-4-2-3-5-14(12)15/h2-5,10-11,13,15-16,24H,6-9H2,1H3,(H2,19,20,21,22,23)/t11-,13+,15-,16-/m0/s1
InChIKeyBOHDRUAQIXDRMX-YOENINGUSA-N
MW325.42 g/mol
LogP2.54
Rot. Bonds4

About (1S,2S,4R)-4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylcyclopentan-1-ol

(1S,2S,4R)-4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylcyclopentan-1-ol (PubChem CID 123868395) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (1S,2S,4R)-4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylcyclopentan-1-ol
PubChem CID123868395
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(1S,2S,4R)-4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylcyclopentan-1-ol
SMILESC[C@H]1C[C@@H](Nc2ncnc(N[C@H]3CCc4ccccc43)n2)C[C@@H]1O
InChIInChI=1S/C18H23N5O/c1-11-8-13(9-16(11)24)21-17-19-10-20-18(23-17)22-15-7-6-12-4-2-3-5-14(12)15/h2-5,10-11,13,15-16,24H,6-9H2,1H3,(H2,19,20,21,22,23)/t11-,13+,15-,16-/m0/s1
InChIKeyBOHDRUAQIXDRMX-YOENINGUSA-N
XLogP2.54
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1S,2S,4R)-4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylcyclopentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylcyclopentan-1-ol?
The IUPAC name of (1S,2S,4R)-4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylcyclopentan-1-ol (CID 123868395) is (1S,2S,4R)-4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylcyclopentan-1-ol.
What is the SMILES notation for (1S,2S,4R)-4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylcyclopentan-1-ol?
The canonical SMILES for (1S,2S,4R)-4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylcyclopentan-1-ol is C[C@H]1C[C@@H](Nc2ncnc(N[C@H]3CCc4ccccc43)n2)C[C@@H]1O.
What is the InChIKey of (1S,2S,4R)-4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylcyclopentan-1-ol?
The InChIKey is BOHDRUAQIXDRMX-YOENINGUSA-N. The full InChI is InChI=1S/C18H23N5O/c1-11-8-13(9-16(11)24)21-17-19-10-20-18(23-17)22-15-7-6-12-4-2-3-5-14(12)15/h2-5,10-11,13,15-16,24H,6-9H2,1H3,(H2,19,20,21,22,23)/t11-,13+,15-,16-/m0/s1.
What are the key properties of (1S,2S,4R)-4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylcyclopentan-1-ol?
(1S,2S,4R)-4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylcyclopentan-1-ol has a molecular weight of 325.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylcyclopentan-1-ol is sourced from PubChem (CID 123868395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).