2-(2-aminobutylamino)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide

C18H23N7O — CID 67001909

IUPAC2-(2-aminobutylamino)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCCC(N)CNc1ncc(C(N)=O)c(Nc2cccc3c2ccn3C)n1
InChIInChI=1S/C18H23N7O/c1-3-11(19)9-21-18-22-10-13(16(20)26)17(24-18)23-14-5-4-6-15-12(14)7-8-25(15)2/h4-8,10-11H,3,9,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)
InChIKeyLOGSTXNIZBRCNP-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.96
Rot. Bonds7

About 2-(2-aminobutylamino)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide

2-(2-aminobutylamino)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide (PubChem CID 67001909) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(2-aminobutylamino)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-aminobutylamino)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide
PubChem CID67001909
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name2-(2-aminobutylamino)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCCC(N)CNc1ncc(C(N)=O)c(Nc2cccc3c2ccn3C)n1
InChIInChI=1S/C18H23N7O/c1-3-11(19)9-21-18-22-10-13(16(20)26)17(24-18)23-14-5-4-6-15-12(14)7-8-25(15)2/h4-8,10-11H,3,9,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)
InChIKeyLOGSTXNIZBRCNP-UHFFFAOYSA-N
XLogP1.96
TPSA123.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide
CID 142786034
2-[(2-amino-3-methoxypropyl)amino]-4-[(2-methylindazol-4-yl)amino]pyrimidine-5-carboxamide;ethane
CID 143890383
2-(2-cyclopropylaziridin-1-yl)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide
CID 123699015
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylindol-4-yl)amino]pyridine-3-carboxamide
CID 67509617
2-[(2-amino-4,4-difluorobutyl)amino]-4-[[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-4-yl]amino]pyrimidine-5-carboxamide
CID 123905971
2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide
CID 67002769
2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide
CID 78119144
ethyl 3-chloro-5-[(1-methylindol-4-yl)amino]-1,2,4-triazine-6-carboxylate
CID 90308765
2-[(2-amino-3-methoxypropyl)amino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 67002016
2-[(2-amino-3-methoxypropyl)amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxamide
CID 67289468
2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 67002566
2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide
CID 22958832

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutylamino)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-aminobutylamino)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide (CID 67001909) is 2-(2-aminobutylamino)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-aminobutylamino)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-aminobutylamino)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide is CCC(N)CNc1ncc(C(N)=O)c(Nc2cccc3c2ccn3C)n1.
What is the InChIKey of 2-(2-aminobutylamino)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is LOGSTXNIZBRCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-3-11(19)9-21-18-22-10-13(16(20)26)17(24-18)23-14-5-4-6-15-12(14)7-8-25(15)2/h4-8,10-11H,3,9,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24).
What are the key properties of 2-(2-aminobutylamino)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide?
2-(2-aminobutylamino)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.96, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutylamino)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 67001909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).