1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol

C14H24N4O — CID 80957543

IUPAC1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCCNc1cc(N2CCC(O)C2)nc(C(C)C)n1
InChIInChI=1S/C14H24N4O/c1-4-6-15-12-8-13(17-14(16-12)10(2)3)18-7-5-11(19)9-18/h8,10-11,19H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyXZJJWFXAGMFQSI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.99
Rot. Bonds5

About 1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol

1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 80957543) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID80957543
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCCNc1cc(N2CCC(O)C2)nc(C(C)C)n1
InChIInChI=1S/C14H24N4O/c1-4-6-15-12-8-13(17-14(16-12)10(2)3)18-7-5-11(19)9-18/h8,10-11,19H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyXZJJWFXAGMFQSI-UHFFFAOYSA-N
XLogP1.99
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80957698
6-piperidin-1-yl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955496
6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955490
6-morpholin-4-yl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80956097
4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 81107966
4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80955979
1-[6-(propylamino)-2-pyridinyl]pyrrolidin-3-ol
CID 80823342
N-ethyl-6-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 103541756
N-ethyl-6-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80960827
1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
CID 106770296
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
4-N-(dicyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80962100

Frequently Asked Questions

What is the IUPAC name of 1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol (CID 80957543) is 1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol is CCCNc1cc(N2CCC(O)C2)nc(C(C)C)n1.
What is the InChIKey of 1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is XZJJWFXAGMFQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-6-15-12-8-13(17-14(16-12)10(2)3)18-7-5-11(19)9-18/h8,10-11,19H,4-7,9H2,1-3H3,(H,15,16,17).
What are the key properties of 1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 264.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 80957543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).