1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol

C12H20N4O — CID 80823831

IUPAC1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCCNc1ncnc(N2CCC(O)C2)c1C
InChIInChI=1S/C12H20N4O/c1-3-5-13-11-9(2)12(15-8-14-11)16-6-4-10(17)7-16/h8,10,17H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyPNAZGIDINWLSRO-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.18
Rot. Bonds4

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

1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 80823831) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID80823831
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCCNc1ncnc(N2CCC(O)C2)c1C
InChIInChI=1S/C12H20N4O/c1-3-5-13-11-9(2)12(15-8-14-11)16-6-4-10(17)7-16/h8,10,17H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyPNAZGIDINWLSRO-UHFFFAOYSA-N
XLogP1.18
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80810445
1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971284
2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82689461
1-[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]pyrrolidin-3-ol
CID 134520190
4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971251
1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 80779109
1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80824081
6-(2-ethylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80797292
3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 114684012
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80751574
5-methyl-6-(2-methylpiperidin-1-yl)-N-propylpyrimidin-4-amine
CID 80766852
1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967433

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol (CID 80823831) is 1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol is CCCNc1ncnc(N2CCC(O)C2)c1C.
What is the InChIKey of 1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is PNAZGIDINWLSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-5-13-11-9(2)12(15-8-14-11)16-6-4-10(17)7-16/h8,10,17H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 236.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 80823831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).