N-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide

C24H26N4O — CID 42822223

IUPACN-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide
SMILESCCN(c1cccc(C)c1)c1nc(-c2ccccc2)ncc1C(=O)NCC1CC1
InChIInChI=1S/C24H26N4O/c1-3-28(20-11-7-8-17(2)14-20)23-21(24(29)26-15-18-12-13-18)16-25-22(27-23)19-9-5-4-6-10-19/h4-11,14,16,18H,3,12-13,15H2,1-2H3,(H,26,29)
InChIKeySDPMRGALUFOSKE-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.75
Rot. Bonds7

About N-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide

N-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide (PubChem CID 42822223) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide
PubChem CID42822223
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide
SMILESCCN(c1cccc(C)c1)c1nc(-c2ccccc2)ncc1C(=O)NCC1CC1
InChIInChI=1S/C24H26N4O/c1-3-28(20-11-7-8-17(2)14-20)23-21(24(29)26-15-18-12-13-18)16-25-22(27-23)19-9-5-4-6-10-19/h4-11,14,16,18H,3,12-13,15H2,1-2H3,(H,26,29)
InChIKeySDPMRGALUFOSKE-UHFFFAOYSA-N
XLogP4.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670889
4-(N-ethyl-3-methylanilino)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-2-phenylpyrimidine-5-carboxamide
CID 93135237
4-(N-ethyl-3-methylanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 42882426
4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 42670860
[4-(N-ethyl-3-methylanilino)-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 42671339
4-[benzyl(methyl)amino]-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 42670820
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 42670942
N-cyclopropyl-6-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851951
4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670864
N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670856
N-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide
CID 42670833
N-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143618

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide (CID 42822223) is N-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide is CCN(c1cccc(C)c1)c1nc(-c2ccccc2)ncc1C(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is SDPMRGALUFOSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-3-28(20-11-7-8-17(2)14-20)23-21(24(29)26-15-18-12-13-18)16-25-22(27-23)19-9-5-4-6-10-19/h4-11,14,16,18H,3,12-13,15H2,1-2H3,(H,26,29).
What are the key properties of N-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide?
N-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 42822223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).