(2S)-2-[[6-(aminomethyl)pyrimidin-4-yl]amino]-3-cyclohexylpropan-1-ol

C14H24N4O — CID 56714859

IUPAC(2S)-2-[[6-(aminomethyl)pyrimidin-4-yl]amino]-3-cyclohexylpropan-1-ol
SMILESNCc1cc(N[C@H](CO)CC2CCCCC2)ncn1
InChIInChI=1S/C14H24N4O/c15-8-12-7-14(17-10-16-12)18-13(9-19)6-11-4-2-1-3-5-11/h7,10-11,13,19H,1-6,8-9,15H2,(H,16,17,18)/t13-/m0/s1
InChIKeyQBYLOYFXOUAOCV-ZDUSSCGKSA-N
MW264.37 g/mol
LogP1.68
Rot. Bonds6

About (2S)-2-[[6-(aminomethyl)pyrimidin-4-yl]amino]-3-cyclohexylpropan-1-ol

(2S)-2-[[6-(aminomethyl)pyrimidin-4-yl]amino]-3-cyclohexylpropan-1-ol (PubChem CID 56714859) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-[[6-(aminomethyl)pyrimidin-4-yl]amino]-3-cyclohexylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[6-(aminomethyl)pyrimidin-4-yl]amino]-3-cyclohexylpropan-1-ol
PubChem CID56714859
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(2S)-2-[[6-(aminomethyl)pyrimidin-4-yl]amino]-3-cyclohexylpropan-1-ol
SMILESNCc1cc(N[C@H](CO)CC2CCCCC2)ncn1
InChIInChI=1S/C14H24N4O/c15-8-12-7-14(17-10-16-12)18-13(9-19)6-11-4-2-1-3-5-11/h7,10-11,13,19H,1-6,8-9,15H2,(H,16,17,18)/t13-/m0/s1
InChIKeyQBYLOYFXOUAOCV-ZDUSSCGKSA-N
XLogP1.68
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-(aminomethyl)pyrimidin-4-yl]amino]-3-cyclohexylpropan-1-ol?
The IUPAC name of (2S)-2-[[6-(aminomethyl)pyrimidin-4-yl]amino]-3-cyclohexylpropan-1-ol (CID 56714859) is (2S)-2-[[6-(aminomethyl)pyrimidin-4-yl]amino]-3-cyclohexylpropan-1-ol.
What is the SMILES notation for (2S)-2-[[6-(aminomethyl)pyrimidin-4-yl]amino]-3-cyclohexylpropan-1-ol?
The canonical SMILES for (2S)-2-[[6-(aminomethyl)pyrimidin-4-yl]amino]-3-cyclohexylpropan-1-ol is NCc1cc(N[C@H](CO)CC2CCCCC2)ncn1.
What is the InChIKey of (2S)-2-[[6-(aminomethyl)pyrimidin-4-yl]amino]-3-cyclohexylpropan-1-ol?
The InChIKey is QBYLOYFXOUAOCV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24N4O/c15-8-12-7-14(17-10-16-12)18-13(9-19)6-11-4-2-1-3-5-11/h7,10-11,13,19H,1-6,8-9,15H2,(H,16,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-[[6-(aminomethyl)pyrimidin-4-yl]amino]-3-cyclohexylpropan-1-ol?
(2S)-2-[[6-(aminomethyl)pyrimidin-4-yl]amino]-3-cyclohexylpropan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-(aminomethyl)pyrimidin-4-yl]amino]-3-cyclohexylpropan-1-ol is sourced from PubChem (CID 56714859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).