4-amino-2-[4-[[2-(methylamino)-2-oxoethyl]amino]anilino]pyrimidine-5-carboxamide

C14H17N7O2 — CID 66792158

IUPAC4-amino-2-[4-[[2-(methylamino)-2-oxoethyl]amino]anilino]pyrimidine-5-carboxamide
SMILESCNC(=O)CNc1ccc(Nc2ncc(C(N)=O)c(N)n2)cc1
InChIInChI=1S/C14H17N7O2/c1-17-11(22)7-18-8-2-4-9(5-3-8)20-14-19-6-10(13(16)23)12(15)21-14/h2-6,18H,7H2,1H3,(H2,16,23)(H,17,22)(H3,15,19,20,21)
InChIKeyYGMNGLNYDYQTFS-UHFFFAOYSA-N
MW315.34 g/mol
LogP0.06
Rot. Bonds6

About 4-amino-2-[4-[[2-(methylamino)-2-oxoethyl]amino]anilino]pyrimidine-5-carboxamide

4-amino-2-[4-[[2-(methylamino)-2-oxoethyl]amino]anilino]pyrimidine-5-carboxamide (PubChem CID 66792158) has the molecular formula C14H17N7O2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 4-amino-2-[4-[[2-(methylamino)-2-oxoethyl]amino]anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[4-[[2-(methylamino)-2-oxoethyl]amino]anilino]pyrimidine-5-carboxamide
PubChem CID66792158
Molecular FormulaC14H17N7O2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC Name4-amino-2-[4-[[2-(methylamino)-2-oxoethyl]amino]anilino]pyrimidine-5-carboxamide
SMILESCNC(=O)CNc1ccc(Nc2ncc(C(N)=O)c(N)n2)cc1
InChIInChI=1S/C14H17N7O2/c1-17-11(22)7-18-8-2-4-9(5-3-8)20-14-19-6-10(13(16)23)12(15)21-14/h2-6,18H,7H2,1H3,(H2,16,23)(H,17,22)(H3,15,19,20,21)
InChIKeyYGMNGLNYDYQTFS-UHFFFAOYSA-N
XLogP0.06
TPSA148.05 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 50.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-amino-2-(4-methylanilino)pyrimidin-5-yl]ethanone
CID 143902091
3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 112578046
4-amino-2-(3-fluoro-4-methylsulfonylanilino)pyrimidine-5-carboxylic acid
CID 167516948
2-(4-methoxyanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 175672865
2-(4-amino-3-methylanilino)-N-methylacetamide
CID 43436351
4-[(4-anilino-5-carbamoylpyrimidin-2-yl)amino]benzoic acid
CID 143285070
2-(3-bromo-4-carbamothioylanilino)-N-methylacetamide
CID 107277358
4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide
CID 44561384
2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide
CID 78119144
4-(cyclopropylmethylamino)-2-[4-[2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide
CID 66783663
methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646751
ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646909

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[4-[[2-(methylamino)-2-oxoethyl]amino]anilino]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-[4-[[2-(methylamino)-2-oxoethyl]amino]anilino]pyrimidine-5-carboxamide (CID 66792158) is 4-amino-2-[4-[[2-(methylamino)-2-oxoethyl]amino]anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-[4-[[2-(methylamino)-2-oxoethyl]amino]anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-[4-[[2-(methylamino)-2-oxoethyl]amino]anilino]pyrimidine-5-carboxamide is CNC(=O)CNc1ccc(Nc2ncc(C(N)=O)c(N)n2)cc1.
What is the InChIKey of 4-amino-2-[4-[[2-(methylamino)-2-oxoethyl]amino]anilino]pyrimidine-5-carboxamide?
The InChIKey is YGMNGLNYDYQTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O2/c1-17-11(22)7-18-8-2-4-9(5-3-8)20-14-19-6-10(13(16)23)12(15)21-14/h2-6,18H,7H2,1H3,(H2,16,23)(H,17,22)(H3,15,19,20,21).
What are the key properties of 4-amino-2-[4-[[2-(methylamino)-2-oxoethyl]amino]anilino]pyrimidine-5-carboxamide?
4-amino-2-[4-[[2-(methylamino)-2-oxoethyl]amino]anilino]pyrimidine-5-carboxamide has a molecular weight of 315.34 g/mol, XLogP of 0.06, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[4-[[2-(methylamino)-2-oxoethyl]amino]anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 66792158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).