2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide

C14H18N6O2 — CID 15458392

IUPAC2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1cccc(Nc2nc(NCCN)ncc2C(N)=O)c1
InChIInChI=1S/C14H18N6O2/c1-22-10-4-2-3-9(7-10)19-13-11(12(16)21)8-18-14(20-13)17-6-5-15/h2-4,7-8H,5-6,15H2,1H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyOGNMTHFRYMWMLE-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.70
Rot. Bonds7

About 2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide

2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide (PubChem CID 15458392) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide
PubChem CID15458392
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1cccc(Nc2nc(NCCN)ncc2C(N)=O)c1
InChIInChI=1S/C14H18N6O2/c1-22-10-4-2-3-9(7-10)19-13-11(12(16)21)8-18-14(20-13)17-6-5-15/h2-4,7-8H,5-6,15H2,1H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyOGNMTHFRYMWMLE-UHFFFAOYSA-N
XLogP0.70
TPSA128.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 59145704
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-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;dihydrochloride
CID 90664659
2-(2-aminoethylamino)-4-[3-[2-(2-iminoethylidene)hydrazinyl]anilino]pyrimidine-5-carboxamide
CID 146884271
2-[2-(diaminomethylideneamino)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 18460850
4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 71237726
2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 67002566
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719
ethyl 2-(2-methoxyanilino)-4-(3-methoxyanilino)pyrimidine-5-carboxylate
CID 171546729
[3-[[2-(3-aminopropylamino)-5-carbamoylpyrimidin-4-yl]amino]phenyl]-[(Z)-2-iminoethylideneamino]azanium
CID 143890460
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide (CID 15458392) is 2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide is COc1cccc(Nc2nc(NCCN)ncc2C(N)=O)c1.
What is the InChIKey of 2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is OGNMTHFRYMWMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-22-10-4-2-3-9(7-10)19-13-11(12(16)21)8-18-14(20-13)17-6-5-15/h2-4,7-8H,5-6,15H2,1H3,(H2,16,21)(H2,17,18,19,20).
What are the key properties of 2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide?
2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 302.34 g/mol, XLogP of 0.70, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 15458392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).