1-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol

C16H26N4O — CID 103358914

IUPAC1-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol
SMILESCCCNc1nc(C2CC2)nc(N2CCC(C)(O)C2)c1C
InChIInChI=1S/C16H26N4O/c1-4-8-17-13-11(2)15(19-14(18-13)12-5-6-12)20-9-7-16(3,21)10-20/h12,21H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyPKYYQHDJAAKPMB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.45
Rot. Bonds5

About 1-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol

1-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol (PubChem CID 103358914) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol
PubChem CID103358914
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol
SMILESCCCNc1nc(C2CC2)nc(N2CCC(C)(O)C2)c1C
InChIInChI=1S/C16H26N4O/c1-4-8-17-13-11(2)15(19-14(18-13)12-5-6-12)20-9-7-16(3,21)10-20/h12,21H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyPKYYQHDJAAKPMB-UHFFFAOYSA-N
XLogP2.45
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol (CID 103358914) is 1-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol is CCCNc1nc(C2CC2)nc(N2CCC(C)(O)C2)c1C.
What is the InChIKey of 1-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol?
The InChIKey is PKYYQHDJAAKPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-8-17-13-11(2)15(19-14(18-13)12-5-6-12)20-9-7-16(3,21)10-20/h12,21H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 1-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol?
1-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol has a molecular weight of 290.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103358914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).