4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol

C15H24N4O2 — CID 95763811

IUPAC4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC[C@H]1CCCN1c1cc(NC2CCC(O)CC2)ncn1
InChIInChI=1S/C15H24N4O2/c20-9-12-2-1-7-19(12)15-8-14(16-10-17-15)18-11-3-5-13(21)6-4-11/h8,10-13,20-21H,1-7,9H2,(H,16,17,18)/t11?,12-,13?/m1/s1
InChIKeyAMCQYMLLCPHFLE-OTTFEQOBSA-N
MW292.38 g/mol
LogP1.15
Rot. Bonds4

About 4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 95763811) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID95763811
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC[C@H]1CCCN1c1cc(NC2CCC(O)CC2)ncn1
InChIInChI=1S/C15H24N4O2/c20-9-12-2-1-7-19(12)15-8-14(16-10-17-15)18-11-3-5-13(21)6-4-11/h8,10-13,20-21H,1-7,9H2,(H,16,17,18)/t11?,12-,13?/m1/s1
InChIKeyAMCQYMLLCPHFLE-OTTFEQOBSA-N
XLogP1.15
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

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CID 95758167
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CID 80795011
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CID 95764041
N-cyclohexyl-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112856254
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CID 133325726
2-[ethyl-[3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid
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CID 133434749
[1-[6-[(1-methylcyclopentyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133293728
4-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 115265146
1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
CID 115265259
1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol
CID 66569760

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 95763811) is 4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol is OC[C@H]1CCCN1c1cc(NC2CCC(O)CC2)ncn1.
What is the InChIKey of 4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is AMCQYMLLCPHFLE-OTTFEQOBSA-N. The full InChI is InChI=1S/C15H24N4O2/c20-9-12-2-1-7-19(12)15-8-14(16-10-17-15)18-11-3-5-13(21)6-4-11/h8,10-13,20-21H,1-7,9H2,(H,16,17,18)/t11?,12-,13?/m1/s1.
What are the key properties of 4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 292.38 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 95763811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).