2-(2-aminoethylamino)-4-[3-[2-(2-iminoethylidene)hydrazinyl]anilino]pyrimidine-5-carboxamide

C15H19N9O — CID 146884271

IUPAC2-(2-aminoethylamino)-4-[3-[2-(2-iminoethylidene)hydrazinyl]anilino]pyrimidine-5-carboxamide
SMILES[H]/N=C/C=NNc1cccc(Nc2nc(NCCN)ncc2C(N)=O)c1
InChIInChI=1S/C15H19N9O/c16-4-6-19-15-20-9-12(13(18)25)14(23-15)22-10-2-1-3-11(8-10)24-21-7-5-17/h1-3,5,7-9,17,24H,4,6,16H2,(H2,18,25)(H2,19,20,22,23)/b17-5+,21-7?
InChIKeySUVWITACXOFUJM-FXZVRXOCSA-N
MW341.38 g/mol
LogP0.74
Rot. Bonds9

About 2-(2-aminoethylamino)-4-[3-[2-(2-iminoethylidene)hydrazinyl]anilino]pyrimidine-5-carboxamide

2-(2-aminoethylamino)-4-[3-[2-(2-iminoethylidene)hydrazinyl]anilino]pyrimidine-5-carboxamide (PubChem CID 146884271) has the molecular formula C15H19N9O and a molecular weight of 341.38 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-4-[3-[2-(2-iminoethylidene)hydrazinyl]anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethylamino)-4-[3-[2-(2-iminoethylidene)hydrazinyl]anilino]pyrimidine-5-carboxamide
PubChem CID146884271
Molecular FormulaC15H19N9O
Molecular Weight341.38 g/mol
Exact Mass341.17
IUPAC Name2-(2-aminoethylamino)-4-[3-[2-(2-iminoethylidene)hydrazinyl]anilino]pyrimidine-5-carboxamide
SMILES[H]/N=C/C=NNc1cccc(Nc2nc(NCCN)ncc2C(N)=O)c1
InChIInChI=1S/C15H19N9O/c16-4-6-19-15-20-9-12(13(18)25)14(23-15)22-10-2-1-3-11(8-10)24-21-7-5-17/h1-3,5,7-9,17,24H,4,6,16H2,(H2,18,25)(H2,19,20,22,23)/b17-5+,21-7?
InChIKeySUVWITACXOFUJM-FXZVRXOCSA-N
XLogP0.74
TPSA167.19 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.38
LogP ≤ 50.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-[[2-(3-aminopropylamino)-5-carbamoylpyrimidin-4-yl]amino]phenyl]-[(Z)-2-iminoethylideneamino]azanium
CID 143890460
2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide
CID 22958832
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
[5-[[2-[[(1S,2S)-2-aminocyclohexyl]methylamino]-5-carbamoylpyrimidin-4-yl]amino]-2-methylphenyl]-[(Z)-2-iminoethylideneamino]azanium
CID 143890343
[3-[[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-5-carbamoylpyrimidin-4-yl]amino]phenyl]-(2-iminoethylideneamino)azanium
CID 147655393
2-[2-(diaminomethylideneamino)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 18460850
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-bromo-3-[(2Z)-2-(2-iminoethylidene)hydrazinyl]anilino]pyrimidine-5-carboxamide
CID 143890369
2-[(2-amino-2-oxoethyl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 57472102
4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide
CID 71237297
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-[(Z)-1-amino-3-iminoprop-1-enyl]anilino]pyrimidine-5-carboxamide
CID 143890502

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-4-[3-[2-(2-iminoethylidene)hydrazinyl]anilino]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-aminoethylamino)-4-[3-[2-(2-iminoethylidene)hydrazinyl]anilino]pyrimidine-5-carboxamide (CID 146884271) is 2-(2-aminoethylamino)-4-[3-[2-(2-iminoethylidene)hydrazinyl]anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-aminoethylamino)-4-[3-[2-(2-iminoethylidene)hydrazinyl]anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-aminoethylamino)-4-[3-[2-(2-iminoethylidene)hydrazinyl]anilino]pyrimidine-5-carboxamide is [H]/N=C/C=NNc1cccc(Nc2nc(NCCN)ncc2C(N)=O)c1.
What is the InChIKey of 2-(2-aminoethylamino)-4-[3-[2-(2-iminoethylidene)hydrazinyl]anilino]pyrimidine-5-carboxamide?
The InChIKey is SUVWITACXOFUJM-FXZVRXOCSA-N. The full InChI is InChI=1S/C15H19N9O/c16-4-6-19-15-20-9-12(13(18)25)14(23-15)22-10-2-1-3-11(8-10)24-21-7-5-17/h1-3,5,7-9,17,24H,4,6,16H2,(H2,18,25)(H2,19,20,22,23)/b17-5+,21-7?.
What are the key properties of 2-(2-aminoethylamino)-4-[3-[2-(2-iminoethylidene)hydrazinyl]anilino]pyrimidine-5-carboxamide?
2-(2-aminoethylamino)-4-[3-[2-(2-iminoethylidene)hydrazinyl]anilino]pyrimidine-5-carboxamide has a molecular weight of 341.38 g/mol, XLogP of 0.74, 9 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-4-[3-[2-(2-iminoethylidene)hydrazinyl]anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 146884271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).