3-[(2-anilino-6-methylpyrimidin-4-yl)amino]-N-(4-methoxyphenyl)propanamide

C21H23N5O2 — CID 44527739

IUPAC3-[(2-anilino-6-methylpyrimidin-4-yl)amino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2cc(C)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C21H23N5O2/c1-15-14-19(26-21(23-15)25-16-6-4-3-5-7-16)22-13-12-20(27)24-17-8-10-18(28-2)11-9-17/h3-11,14H,12-13H2,1-2H3,(H,24,27)(H2,22,23,25,26)
InChIKeyGYRQMAKCAPVYGW-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.98
Rot. Bonds8

About 3-[(2-anilino-6-methylpyrimidin-4-yl)amino]-N-(4-methoxyphenyl)propanamide

3-[(2-anilino-6-methylpyrimidin-4-yl)amino]-N-(4-methoxyphenyl)propanamide (PubChem CID 44527739) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-[(2-anilino-6-methylpyrimidin-4-yl)amino]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(2-anilino-6-methylpyrimidin-4-yl)amino]-N-(4-methoxyphenyl)propanamide
PubChem CID44527739
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-[(2-anilino-6-methylpyrimidin-4-yl)amino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2cc(C)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C21H23N5O2/c1-15-14-19(26-21(23-15)25-16-6-4-3-5-7-16)22-13-12-20(27)24-17-8-10-18(28-2)11-9-17/h3-11,14H,12-13H2,1-2H3,(H,24,27)(H2,22,23,25,26)
InChIKeyGYRQMAKCAPVYGW-UHFFFAOYSA-N
XLogP3.98
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methylthiophen-2-yl)propanamide
CID 122287135
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
2-N-(4-methoxyphenyl)-6-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 117083512
2-cyclopentyl-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 27478141
(E)-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-phenylprop-2-enamide
CID 121032279
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122287106
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 121075061
N-[4-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112915576
1-(2-ethoxyphenyl)-3-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]urea
CID 122286971
N-[4-[[4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112920611

Frequently Asked Questions

What is the IUPAC name of 3-[(2-anilino-6-methylpyrimidin-4-yl)amino]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-[(2-anilino-6-methylpyrimidin-4-yl)amino]-N-(4-methoxyphenyl)propanamide (CID 44527739) is 3-[(2-anilino-6-methylpyrimidin-4-yl)amino]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[(2-anilino-6-methylpyrimidin-4-yl)amino]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-[(2-anilino-6-methylpyrimidin-4-yl)amino]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCNc2cc(C)nc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 3-[(2-anilino-6-methylpyrimidin-4-yl)amino]-N-(4-methoxyphenyl)propanamide?
The InChIKey is GYRQMAKCAPVYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-14-19(26-21(23-15)25-16-6-4-3-5-7-16)22-13-12-20(27)24-17-8-10-18(28-2)11-9-17/h3-11,14H,12-13H2,1-2H3,(H,24,27)(H2,22,23,25,26).
What are the key properties of 3-[(2-anilino-6-methylpyrimidin-4-yl)amino]-N-(4-methoxyphenyl)propanamide?
3-[(2-anilino-6-methylpyrimidin-4-yl)amino]-N-(4-methoxyphenyl)propanamide has a molecular weight of 377.45 g/mol, XLogP of 3.98, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-anilino-6-methylpyrimidin-4-yl)amino]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 44527739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).