N-(1-cyanopropan-2-yl)-5-(ethylamino)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide

C15H23N5O — CID 63228199

IUPACN-(1-cyanopropan-2-yl)-5-(ethylamino)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCNc1cnc(C(C)C)nc1C(=O)N(C)C(C)CC#N
InChIInChI=1S/C15H23N5O/c1-6-17-12-9-18-14(10(2)3)19-13(12)15(21)20(5)11(4)7-8-16/h9-11,17H,6-7H2,1-5H3
InChIKeyMFWPWVIIKQUMJJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.41
Rot. Bonds6

About N-(1-cyanopropan-2-yl)-5-(ethylamino)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide

N-(1-cyanopropan-2-yl)-5-(ethylamino)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 63228199) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-5-(ethylamino)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-5-(ethylamino)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID63228199
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-(1-cyanopropan-2-yl)-5-(ethylamino)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCNc1cnc(C(C)C)nc1C(=O)N(C)C(C)CC#N
InChIInChI=1S/C15H23N5O/c1-6-17-12-9-18-14(10(2)3)19-13(12)15(21)20(5)11(4)7-8-16/h9-11,17H,6-7H2,1-5H3
InChIKeyMFWPWVIIKQUMJJ-UHFFFAOYSA-N
XLogP2.41
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylamino)-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 62179329
5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62167379
N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62166595
N-(3,3-dimethylbutan-2-yl)-N-methyl-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62181175
5-(ethylamino)-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63961032
5-hydrazinyl-N-methyl-N-pentyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62242106
N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62173238
N-(2,2-dimethylpropyl)-5-hydrazinyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62243662
5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62180898
N-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide
CID 62169296
5-(ethylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
CID 62175298
5-(ethylamino)-2-propan-2-yl-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 62167205

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-5-(ethylamino)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-5-(ethylamino)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide (CID 63228199) is N-(1-cyanopropan-2-yl)-5-(ethylamino)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-5-(ethylamino)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-5-(ethylamino)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide is CCNc1cnc(C(C)C)nc1C(=O)N(C)C(C)CC#N.
What is the InChIKey of N-(1-cyanopropan-2-yl)-5-(ethylamino)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is MFWPWVIIKQUMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-6-17-12-9-18-14(10(2)3)19-13(12)15(21)20(5)11(4)7-8-16/h9-11,17H,6-7H2,1-5H3.
What are the key properties of N-(1-cyanopropan-2-yl)-5-(ethylamino)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
N-(1-cyanopropan-2-yl)-5-(ethylamino)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-5-(ethylamino)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 63228199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).