1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol

C12H20N4O — CID 80824081

IUPAC1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCCNc1ncc(C)c(N2CCC(O)C2)n1
InChIInChI=1S/C12H20N4O/c1-3-5-13-12-14-7-9(2)11(15-12)16-6-4-10(17)8-16/h7,10,17H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyZIKDGKFIJFGVGE-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.18
Rot. Bonds4

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

1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 80824081) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID80824081
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCCNc1ncc(C)c(N2CCC(O)C2)n1
InChIInChI=1S/C12H20N4O/c1-3-5-13-12-14-7-9(2)11(15-12)16-6-4-10(17)8-16/h7,10,17H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyZIKDGKFIJFGVGE-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

4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80776826
5-methyl-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80810446
5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine
CID 80836484
1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839871
1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971036
5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764571
5-methyl-4-(4-propan-2-ylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80824205
4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80806455
5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
CID 80829879
N-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 103198569
8-[5-methyl-2-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80846542
5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine
CID 80823681

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol (CID 80824081) is 1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol is CCCNc1ncc(C)c(N2CCC(O)C2)n1.
What is the InChIKey of 1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is ZIKDGKFIJFGVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-5-13-12-14-7-9(2)11(15-12)16-6-4-10(17)8-16/h7,10,17H,3-6,8H2,1-2H3,(H,13,14,15).
What are the key properties of 1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
1-[5-methyl-2-(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-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 80824081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).