1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol

C14H23N3O2 — CID 112637995

IUPAC1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1cc(OC(C)C)nc(NCC2(O)CCCC2)n1
InChIInChI=1S/C14H23N3O2/c1-10(2)19-12-8-11(3)16-13(17-12)15-9-14(18)6-4-5-7-14/h8,10,18H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyKBPVHZQMLPBSGL-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.29
Rot. Bonds5

About 1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol

1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 112637995) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
PubChem CID112637995
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1cc(OC(C)C)nc(NCC2(O)CCCC2)n1
InChIInChI=1S/C14H23N3O2/c1-10(2)19-12-8-11(3)16-13(17-12)15-9-14(18)6-4-5-7-14/h8,10,18H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyKBPVHZQMLPBSGL-UHFFFAOYSA-N
XLogP2.29
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 103969249
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 103970503
1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 115355172
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
1-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 80843488
2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 115975133
N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636873
N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 102698965
2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol
CID 107851350
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
2-methyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112634458
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 107318107

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol (CID 112637995) is 1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol is Cc1cc(OC(C)C)nc(NCC2(O)CCCC2)n1.
What is the InChIKey of 1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is KBPVHZQMLPBSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)19-12-8-11(3)16-13(17-12)15-9-14(18)6-4-5-7-14/h8,10,18H,4-7,9H2,1-3H3,(H,15,16,17).
What are the key properties of 1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol?
1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 265.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 112637995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).