N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide

C14H22N4O — CID 55046824

IUPACN-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)NC(C)C1CC1
InChIInChI=1S/C14H22N4O/c1-8(2)13-16-7-11(15-4)12(18-13)14(19)17-9(3)10-5-6-10/h7-10,15H,5-6H2,1-4H3,(H,17,19)
InChIKeyYMJNOEAIVZWMLU-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.17
Rot. Bonds5

About N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide

N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 55046824) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID55046824
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)NC(C)C1CC1
InChIInChI=1S/C14H22N4O/c1-8(2)13-16-7-11(15-4)12(18-13)14(19)17-9(3)10-5-6-10/h7-10,15H,5-6H2,1-4H3,(H,17,19)
InChIKeyYMJNOEAIVZWMLU-UHFFFAOYSA-N
XLogP2.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylamino)-N-(4-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62171067
N-[1-(dimethylamino)propan-2-yl]-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 82950338
5-(methylamino)-2-propan-2-yl-N-(thiolan-3-yl)pyrimidine-4-carboxamide
CID 103064725
5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 55042358
N-(3,3-dimethylcyclopentyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 114540803
5-(methylamino)-N-(oxan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63362164
N-(4-bromophenyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62167079
5-(methylamino)-N-(1-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62174766
5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63003869
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62176385
5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
CID 82940841
5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62168386

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide (CID 55046824) is N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide is CNc1cnc(C(C)C)nc1C(=O)NC(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is YMJNOEAIVZWMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-8(2)13-16-7-11(15-4)12(18-13)14(19)17-9(3)10-5-6-10/h7-10,15H,5-6H2,1-4H3,(H,17,19).
What are the key properties of N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 55046824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).