3-[[5,6-dimethyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol

C17H23N5O — CID 71738479

IUPAC3-[[5,6-dimethyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol
SMILESCc1nc(NCc2ccccn2)nc(NC2CCC(O)C2)c1C
InChIInChI=1S/C17H23N5O/c1-11-12(2)20-17(19-10-14-5-3-4-8-18-14)22-16(11)21-13-6-7-15(23)9-13/h3-5,8,13,15,23H,6-7,9-10H2,1-2H3,(H2,19,20,21,22)
InChIKeyZLBXVOSCZUNFRR-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.43
Rot. Bonds5

About 3-[[5,6-dimethyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol

3-[[5,6-dimethyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol (PubChem CID 71738479) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[[5,6-dimethyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[5,6-dimethyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol
PubChem CID71738479
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name3-[[5,6-dimethyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol
SMILESCc1nc(NCc2ccccn2)nc(NC2CCC(O)C2)c1C
InChIInChI=1S/C17H23N5O/c1-11-12(2)20-17(19-10-14-5-3-4-8-18-14)22-16(11)21-13-6-7-15(23)9-13/h3-5,8,13,15,23H,6-7,9-10H2,1-2H3,(H2,19,20,21,22)
InChIKeyZLBXVOSCZUNFRR-UHFFFAOYSA-N
XLogP2.43
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[5,6-dimethyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol with MolForge

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Related Compounds

5,6-dimethyl-4-N-[1-(2-methylpropyl)piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 174850321
tert-butyl formate;5,6-dimethyl-4-N-piperidin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 174740834
2-N-[(4-chloro-2-pyridinyl)methyl]-4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine
CID 71738408
4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 71738749
ethane;2-[4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-7-methyl-6H-furo[2,3-c]pyridin-5-one
CID 143945558
5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 71922543
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
5-iodo-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 171984806
4-[[2-[[(2R)-2-fluorobutyl]amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 170437926
trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol
CID 93317323
cis-(1S,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317478
trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317480

Frequently Asked Questions

What is the IUPAC name of 3-[[5,6-dimethyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol?
The IUPAC name of 3-[[5,6-dimethyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol (CID 71738479) is 3-[[5,6-dimethyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for 3-[[5,6-dimethyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol?
The canonical SMILES for 3-[[5,6-dimethyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol is Cc1nc(NCc2ccccn2)nc(NC2CCC(O)C2)c1C.
What is the InChIKey of 3-[[5,6-dimethyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol?
The InChIKey is ZLBXVOSCZUNFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-11-12(2)20-17(19-10-14-5-3-4-8-18-14)22-16(11)21-13-6-7-15(23)9-13/h3-5,8,13,15,23H,6-7,9-10H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 3-[[5,6-dimethyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol?
3-[[5,6-dimethyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol has a molecular weight of 313.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5,6-dimethyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 71738479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).