N-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide

C15H25N5O — CID 103198569

IUPACN-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCCCNc1ncc(C)c(N2CCCC(C(=O)NC)C2)n1
InChIInChI=1S/C15H25N5O/c1-4-7-17-15-18-9-11(2)13(19-15)20-8-5-6-12(10-20)14(21)16-3/h9,12H,4-8,10H2,1-3H3,(H,16,21)(H,17,18,19)
InChIKeyIGIVTJXSJSTVOR-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.57
Rot. Bonds5

About N-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide

N-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 103198569) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID103198569
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCCCNc1ncc(C)c(N2CCCC(C(=O)NC)C2)n1
InChIInChI=1S/C15H25N5O/c1-4-7-17-15-18-9-11(2)13(19-15)20-8-5-6-12(10-20)14(21)16-3/h9,12H,4-8,10H2,1-3H3,(H,16,21)(H,17,18,19)
InChIKeyIGIVTJXSJSTVOR-UHFFFAOYSA-N
XLogP1.57
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide
CID 80756566
5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764571
5-methyl-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80810446
1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80824081
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
5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine
CID 80823681
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80776826
5-methyl-4-(4-propan-2-ylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80824205
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 80779212
1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839871
5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine
CID 80836484

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide (CID 103198569) is N-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide is CCCNc1ncc(C)c(N2CCCC(C(=O)NC)C2)n1.
What is the InChIKey of N-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is IGIVTJXSJSTVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-4-7-17-15-18-9-11(2)13(19-15)20-8-5-6-12(10-20)14(21)16-3/h9,12H,4-8,10H2,1-3H3,(H,16,21)(H,17,18,19).
What are the key properties of N-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide?
N-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 103198569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).