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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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).