N-(cyclopropylmethyl)-5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide

C16H26N4O — CID 62179991

IUPACN-(cyclopropylmethyl)-5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1nc(C(C)C)ncc1NC
InChIInChI=1S/C16H26N4O/c1-5-8-20(10-12-6-7-12)16(21)14-13(17-4)9-18-15(19-14)11(2)3/h9,11-12,17H,5-8,10H2,1-4H3
InChIKeyXUMRUNYOEGVFMQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.90
Rot. Bonds7

About N-(cyclopropylmethyl)-5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide

N-(cyclopropylmethyl)-5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide (PubChem CID 62179991) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
PubChem CID62179991
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(cyclopropylmethyl)-5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1nc(C(C)C)ncc1NC
InChIInChI=1S/C16H26N4O/c1-5-8-20(10-12-6-7-12)16(21)14-13(17-4)9-18-15(19-14)11(2)3/h9,11-12,17H,5-8,10H2,1-4H3
InChIKeyXUMRUNYOEGVFMQ-UHFFFAOYSA-N
XLogP2.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 55042358
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62642217
N-(cyclopropylmethyl)-5-(methylamino)-N-propylpyrazine-2-carboxamide
CID 107374841
5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
CID 82940841
N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 55046824
5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62168386
5-(methylamino)-N-(4-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62171067
N-ethyl-5-hydrazinyl-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62237150
N-(3,3-dimethylbutan-2-yl)-N-methyl-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62181175
5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63003869
5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 55043487
4-amino-N-(cyclopropylmethyl)-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide
CID 62075249

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide (CID 62179991) is N-(cyclopropylmethyl)-5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide is CCCN(CC1CC1)C(=O)c1nc(C(C)C)ncc1NC.
What is the InChIKey of N-(cyclopropylmethyl)-5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide?
The InChIKey is XUMRUNYOEGVFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-5-8-20(10-12-6-7-12)16(21)14-13(17-4)9-18-15(19-14)11(2)3/h9,11-12,17H,5-8,10H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 62179991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).