2-[(2-aminocyclohexyl)amino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide

C19H26N6O — CID 76549139

IUPAC2-[(2-aminocyclohexyl)amino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCCCC2N)nc1NCCc1ccccc1
InChIInChI=1S/C19H26N6O/c20-15-8-4-5-9-16(15)24-19-23-12-14(17(21)26)18(25-19)22-11-10-13-6-2-1-3-7-13/h1-3,6-7,12,15-16H,4-5,8-11,20H2,(H2,21,26)(H2,22,23,24,25)
InChIKeyURVSGZXLNDSPLG-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.91
Rot. Bonds7

About 2-[(2-aminocyclohexyl)amino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide

2-[(2-aminocyclohexyl)amino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 76549139) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-[(2-aminocyclohexyl)amino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-aminocyclohexyl)amino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID76549139
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name2-[(2-aminocyclohexyl)amino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCCCC2N)nc1NCCc1ccccc1
InChIInChI=1S/C19H26N6O/c20-15-8-4-5-9-16(15)24-19-23-12-14(17(21)26)18(25-19)22-11-10-13-6-2-1-3-7-13/h1-3,6-7,12,15-16H,4-5,8-11,20H2,(H2,21,26)(H2,22,23,24,25)
InChIKeyURVSGZXLNDSPLG-UHFFFAOYSA-N
XLogP1.91
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexyl)amino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2-aminocyclohexyl)amino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide (CID 76549139) is 2-[(2-aminocyclohexyl)amino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2-aminocyclohexyl)amino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2-aminocyclohexyl)amino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide is NC(=O)c1cnc(NC2CCCCC2N)nc1NCCc1ccccc1.
What is the InChIKey of 2-[(2-aminocyclohexyl)amino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is URVSGZXLNDSPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c20-15-8-4-5-9-16(15)24-19-23-12-14(17(21)26)18(25-19)22-11-10-13-6-2-1-3-7-13/h1-3,6-7,12,15-16H,4-5,8-11,20H2,(H2,21,26)(H2,22,23,24,25).
What are the key properties of 2-[(2-aminocyclohexyl)amino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide?
2-[(2-aminocyclohexyl)amino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 1.91, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexyl)amino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 76549139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).