2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide

C18H18N4OS — CID 20959702

IUPAC2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1nc(NCc2ccccc2)ncc1C(=O)NCc1cccs1
InChIInChI=1S/C18H18N4OS/c1-13-16(17(23)19-11-15-8-5-9-24-15)12-21-18(22-13)20-10-14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyJRLWQPMSGYHCPG-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.39
Rot. Bonds6

About 2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide

2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 20959702) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID20959702
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1nc(NCc2ccccc2)ncc1C(=O)NCc1cccs1
InChIInChI=1S/C18H18N4OS/c1-13-16(17(23)19-11-15-8-5-9-24-15)12-21-18(22-13)20-10-14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyJRLWQPMSGYHCPG-UHFFFAOYSA-N
XLogP3.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 20959691
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 1487920
ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
N-benzyl-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 39428057
N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959741
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959722
1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide
CID 106770448
2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
CID 16584583
4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 110852258
2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide
CID 20959670

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide (CID 20959702) is 2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide is Cc1nc(NCc2ccccc2)ncc1C(=O)NCc1cccs1.
What is the InChIKey of 2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is JRLWQPMSGYHCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-13-16(17(23)19-11-15-8-5-9-24-15)12-21-18(22-13)20-10-14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide?
2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 20959702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).