2-(2-aminoethylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide

C14H18N6O — CID 12017518

IUPAC2-(2-aminoethylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2nc(NCCN)ncc2C(N)=O)cc1
InChIInChI=1S/C14H18N6O/c1-9-2-4-10(5-3-9)19-13-11(12(16)21)8-18-14(20-13)17-7-6-15/h2-5,8H,6-7,15H2,1H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyPHHCDYHRFLEBMR-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.00
Rot. Bonds6

About 2-(2-aminoethylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide

2-(2-aminoethylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide (PubChem CID 12017518) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide
PubChem CID12017518
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name2-(2-aminoethylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2nc(NCCN)ncc2C(N)=O)cc1
InChIInChI=1S/C14H18N6O/c1-9-2-4-10(5-3-9)19-13-11(12(16)21)8-18-14(20-13)17-7-6-15/h2-5,8H,6-7,15H2,1H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyPHHCDYHRFLEBMR-UHFFFAOYSA-N
XLogP1.00
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-aminoethylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide (CID 12017518) is 2-(2-aminoethylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-aminoethylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-aminoethylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide is Cc1ccc(Nc2nc(NCCN)ncc2C(N)=O)cc1.
What is the InChIKey of 2-(2-aminoethylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is PHHCDYHRFLEBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-9-2-4-10(5-3-9)19-13-11(12(16)21)8-18-14(20-13)17-7-6-15/h2-5,8H,6-7,15H2,1H3,(H2,16,21)(H2,17,18,19,20).
What are the key properties of 2-(2-aminoethylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide?
2-(2-aminoethylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.00, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 12017518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).