trans-(1S,2S)-2-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

C16H20N4O — CID 154869671

IUPACtrans-(1S,2S)-2-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1nc(NC[C@@H]2CCC[C@@H]2O)cc(-c2ccccn2)n1
InChIInChI=1S/C16H20N4O/c1-11-19-14(13-6-2-3-8-17-13)9-16(20-11)18-10-12-5-4-7-15(12)21/h2-3,6,8-9,12,15,21H,4-5,7,10H2,1H3,(H,18,19,20)/t12-,15-/m0/s1
InChIKeyYMIQUNWLRXLKRZ-WFASDCNBSA-N
MW284.36 g/mol
LogP2.42
Rot. Bonds4

About trans-(1S,2S)-2-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

trans-(1S,2S)-2-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 154869671) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID154869671
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Nametrans-(1S,2S)-2-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1nc(NC[C@@H]2CCC[C@@H]2O)cc(-c2ccccn2)n1
InChIInChI=1S/C16H20N4O/c1-11-19-14(13-6-2-3-8-17-13)9-16(20-11)18-10-12-5-4-7-15(12)21/h2-3,6,8-9,12,15,21H,4-5,7,10H2,1H3,(H,18,19,20)/t12-,15-/m0/s1
InChIKeyYMIQUNWLRXLKRZ-WFASDCNBSA-N
XLogP2.42
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (CID 154869671) is trans-(1S,2S)-2-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is Cc1nc(NC[C@@H]2CCC[C@@H]2O)cc(-c2ccccn2)n1.
What is the InChIKey of trans-(1S,2S)-2-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is YMIQUNWLRXLKRZ-WFASDCNBSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-19-14(13-6-2-3-8-17-13)9-16(20-11)18-10-12-5-4-7-15(12)21/h2-3,6,8-9,12,15,21H,4-5,7,10H2,1H3,(H,18,19,20)/t12-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
trans-(1S,2S)-2-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 284.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 154869671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).