[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]-phenylmethanol

C18H24N4O2 — CID 5329595

IUPAC[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]-phenylmethanol
SMILESNc1nc(N)c(C(O)c2ccccc2)c(OCC2CCCCC2)n1
InChIInChI=1S/C18H24N4O2/c19-16-14(15(23)13-9-5-2-6-10-13)17(22-18(20)21-16)24-11-12-7-3-1-4-8-12/h2,5-6,9-10,12,15,23H,1,3-4,7-8,11H2,(H4,19,20,21,22)
InChIKeyNRTYAOFZYKHYQZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.68
Rot. Bonds5

About [2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]-phenylmethanol

[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]-phenylmethanol (PubChem CID 5329595) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]-phenylmethanol.

Molecular Properties

Compound Name[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]-phenylmethanol
PubChem CID5329595
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]-phenylmethanol
SMILESNc1nc(N)c(C(O)c2ccccc2)c(OCC2CCCCC2)n1
InChIInChI=1S/C18H24N4O2/c19-16-14(15(23)13-9-5-2-6-10-13)17(22-18(20)21-16)24-11-12-7-3-1-4-8-12/h2,5-6,9-10,12,15,23H,1,3-4,7-8,11H2,(H4,19,20,21,22)
InChIKeyNRTYAOFZYKHYQZ-UHFFFAOYSA-N
XLogP2.68
TPSA107.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]-phenylmethanol?
The IUPAC name of [2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]-phenylmethanol (CID 5329595) is [2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]-phenylmethanol.
What is the SMILES notation for [2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]-phenylmethanol?
The canonical SMILES for [2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]-phenylmethanol is Nc1nc(N)c(C(O)c2ccccc2)c(OCC2CCCCC2)n1.
What is the InChIKey of [2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]-phenylmethanol?
The InChIKey is NRTYAOFZYKHYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c19-16-14(15(23)13-9-5-2-6-10-13)17(22-18(20)21-16)24-11-12-7-3-1-4-8-12/h2,5-6,9-10,12,15,23H,1,3-4,7-8,11H2,(H4,19,20,21,22).
What are the key properties of [2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]-phenylmethanol?
[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]-phenylmethanol has a molecular weight of 328.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]-phenylmethanol is sourced from PubChem (CID 5329595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).