2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide

C13H16N6O — CID 22958832

IUPAC2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide
SMILESNCCNc1ncc(C(N)=O)c(Nc2ccccc2)n1
InChIInChI=1S/C13H16N6O/c14-6-7-16-13-17-8-10(11(15)20)12(19-13)18-9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H2,15,20)(H2,16,17,18,19)
InChIKeyMJRLHEORMJRXGM-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.69
Rot. Bonds6

About 2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide

2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide (PubChem CID 22958832) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide
PubChem CID22958832
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide
SMILESNCCNc1ncc(C(N)=O)c(Nc2ccccc2)n1
InChIInChI=1S/C13H16N6O/c14-6-7-16-13-17-8-10(11(15)20)12(19-13)18-9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H2,15,20)(H2,16,17,18,19)
InChIKeyMJRLHEORMJRXGM-UHFFFAOYSA-N
XLogP0.69
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(2-aminoethylamino)-5-carbamoylpyrimidin-4-yl]amino]benzoic acid
CID 18460852
2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 15458392
2-(2-aminoethylamino)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;dihydrochloride
CID 90664659
4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide
CID 71237297
4-[(4-anilino-5-carbamoylpyrimidin-2-yl)amino]benzoic acid
CID 143285070
2-(2-aminoethylamino)-4-[3-[2-(2-iminoethylidene)hydrazinyl]anilino]pyrimidine-5-carboxamide
CID 146884271
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719
4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 71237726
2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide
CID 66576399
2-[2-(diaminomethylideneamino)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 18460850
4-anilino-2-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 123646313
2-[(2-amino-2-oxoethyl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 57472102

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide?
The IUPAC name of 2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide (CID 22958832) is 2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide is NCCNc1ncc(C(N)=O)c(Nc2ccccc2)n1.
What is the InChIKey of 2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide?
The InChIKey is MJRLHEORMJRXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c14-6-7-16-13-17-8-10(11(15)20)12(19-13)18-9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H2,15,20)(H2,16,17,18,19).
What are the key properties of 2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide?
2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.69, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide is sourced from PubChem (CID 22958832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).