2-[2-(methylamino)propylamino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide

C17H20N8O — CID 143890450

IUPAC2-[2-(methylamino)propylamino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
SMILESCNC(C)CNc1ncc(C(N)=O)c(Nc2ccc3nccnc3c2)n1
InChIInChI=1S/C17H20N8O/c1-10(19-2)8-22-17-23-9-12(15(18)26)16(25-17)24-11-3-4-13-14(7-11)21-6-5-20-13/h3-7,9-10,19H,8H2,1-2H3,(H2,18,26)(H2,22,23,24,25)
InChIKeyYDXQHYVUJHAYPY-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.28
Rot. Bonds7

About 2-[2-(methylamino)propylamino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide

2-[2-(methylamino)propylamino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide (PubChem CID 143890450) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-[2-(methylamino)propylamino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(methylamino)propylamino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
PubChem CID143890450
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name2-[2-(methylamino)propylamino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
SMILESCNC(C)CNc1ncc(C(N)=O)c(Nc2ccc3nccnc3c2)n1
InChIInChI=1S/C17H20N8O/c1-10(19-2)8-22-17-23-9-12(15(18)26)16(25-17)24-11-3-4-13-14(7-11)21-6-5-20-13/h3-7,9-10,19H,8H2,1-2H3,(H2,18,26)(H2,22,23,24,25)
InChIKeyYDXQHYVUJHAYPY-UHFFFAOYSA-N
XLogP1.28
TPSA130.74 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
CID 46185385
2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide
CID 78119144
2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide
CID 67002750
4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
CID 44594230
2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 67002566
2-[[(2S)-2-aminopropyl]amino]-4-[3-methyl-5-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 59199550
2-[[(2S)-2-aminopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide
CID 59199697
2-[(2-amino-3-methoxypropyl)amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxamide
CID 67289468
2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-(1,3-benzothiazol-6-ylamino)pyrimidine-5-carboxamide
CID 67003038
3-[[2-(2-aminoethylamino)-5-carbamoylpyrimidin-4-yl]amino]benzoic acid
CID 18460852
2-[(2-amino-3-methoxypropyl)amino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 67002016
2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide
CID 67002769

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)propylamino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(methylamino)propylamino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide (CID 143890450) is 2-[2-(methylamino)propylamino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(methylamino)propylamino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(methylamino)propylamino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide is CNC(C)CNc1ncc(C(N)=O)c(Nc2ccc3nccnc3c2)n1.
What is the InChIKey of 2-[2-(methylamino)propylamino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide?
The InChIKey is YDXQHYVUJHAYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-10(19-2)8-22-17-23-9-12(15(18)26)16(25-17)24-11-3-4-13-14(7-11)21-6-5-20-13/h3-7,9-10,19H,8H2,1-2H3,(H2,18,26)(H2,22,23,24,25).
What are the key properties of 2-[2-(methylamino)propylamino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide?
2-[2-(methylamino)propylamino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.28, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)propylamino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 143890450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).