1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol

C14H24N4O — CID 80779109

IUPAC1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
SMILESCCCNc1nc(C)nc(N2CCCC(O)C2)c1C
InChIInChI=1S/C14H24N4O/c1-4-7-15-13-10(2)14(17-11(3)16-13)18-8-5-6-12(19)9-18/h12,19H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyOVQNTNRIVQKFDS-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.88
Rot. Bonds4

About 1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol

1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol (PubChem CID 80779109) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
PubChem CID80779109
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
SMILESCCCNc1nc(C)nc(N2CCCC(O)C2)c1C
InChIInChI=1S/C14H24N4O/c1-4-7-15-13-10(2)14(17-11(3)16-13)18-8-5-6-12(19)9-18/h12,19H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyOVQNTNRIVQKFDS-UHFFFAOYSA-N
XLogP1.88
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol (CID 80779109) is 1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol is CCCNc1nc(C)nc(N2CCCC(O)C2)c1C.
What is the InChIKey of 1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is OVQNTNRIVQKFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-7-15-13-10(2)14(17-11(3)16-13)18-8-5-6-12(19)9-18/h12,19H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol?
1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 264.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 80779109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).