1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide

C13H21N5O — CID 80765391

IUPAC1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCCNc1nc(C)cc(N2CCCC2C(N)=O)n1
InChIInChI=1S/C13H21N5O/c1-3-6-15-13-16-9(2)8-11(17-13)18-7-4-5-10(18)12(14)19/h8,10H,3-7H2,1-2H3,(H2,14,19)(H,15,16,17)
InChIKeyRJOPFRNNZGMGDY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.06
Rot. Bonds5

About 1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide

1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 80765391) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID80765391
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCCNc1nc(C)cc(N2CCCC2C(N)=O)n1
InChIInChI=1S/C13H21N5O/c1-3-6-15-13-16-9(2)8-11(17-13)18-7-4-5-10(18)12(14)19/h8,10H,3-7H2,1-2H3,(H2,14,19)(H,15,16,17)
InChIKeyRJOPFRNNZGMGDY-UHFFFAOYSA-N
XLogP1.06
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056953
4-[2-(ethylamino)-6-methylpyrimidin-4-yl]morpholine-3-carboxamide
CID 83106116
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80791554
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765390
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80946575
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 80798660
1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80806613
1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80937172
4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80805119
4-methyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine
CID 80835884
1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80785772
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80836941

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide (CID 80765391) is 1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide is CCCNc1nc(C)cc(N2CCCC2C(N)=O)n1.
What is the InChIKey of 1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is RJOPFRNNZGMGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-6-15-13-16-9(2)8-11(17-13)18-7-4-5-10(18)12(14)19/h8,10H,3-7H2,1-2H3,(H2,14,19)(H,15,16,17).
What are the key properties of 1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 80765391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).