3-[1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol

C16H26N4O — CID 80985147

IUPAC3-[1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
SMILESCNc1nc(C2CC2)nc(N2CCCC2CCCO)c1C
InChIInChI=1S/C16H26N4O/c1-11-14(17-2)18-15(12-7-8-12)19-16(11)20-9-3-5-13(20)6-4-10-21/h12-13,21H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyWAXOWEHPFDJQKT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.45
Rot. Bonds6

About 3-[1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol

3-[1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 80985147) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
PubChem CID80985147
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-[1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
SMILESCNc1nc(C2CC2)nc(N2CCCC2CCCO)c1C
InChIInChI=1S/C16H26N4O/c1-11-14(17-2)18-15(12-7-8-12)19-16(11)20-9-3-5-13(20)6-4-10-21/h12-13,21H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyWAXOWEHPFDJQKT-UHFFFAOYSA-N
XLogP2.45
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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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Related Compounds

1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80987629
2-cyclopropyl-6-(3-ethylmorpholin-4-yl)-N,5-dimethylpyrimidin-4-amine
CID 80993593
[1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640681
3-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 83063494
3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80964581
3-[1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
CID 80827434
acetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 142817671
4-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80992975
2-cyclopropyl-6-(3-methoxypiperidin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 102971626
3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol
CID 114784987
2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 80983840
2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine
CID 80984983

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol (CID 80985147) is 3-[1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol is CNc1nc(C2CC2)nc(N2CCCC2CCCO)c1C.
What is the InChIKey of 3-[1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is WAXOWEHPFDJQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11-14(17-2)18-15(12-7-8-12)19-16(11)20-9-3-5-13(20)6-4-10-21/h12-13,21H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 3-[1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 290.41 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 80985147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).