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

C8H14N6O — CID 70981182

IUPAC2-(2-aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide
SMILESCNc1nc(NCCN)ncc1C(N)=O
InChIInChI=1S/C8H14N6O/c1-11-7-5(6(10)15)4-13-8(14-7)12-3-2-9/h4H,2-3,9H2,1H3,(H2,10,15)(H2,11,12,13,14)
InChIKeyALYYEJSTMRTGLB-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.01
Rot. Bonds5

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

2-(2-aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide (PubChem CID 70981182) has the molecular formula C8H14N6O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide
PubChem CID70981182
Molecular FormulaC8H14N6O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name2-(2-aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide
SMILESCNc1nc(NCCN)ncc1C(N)=O
InChIInChI=1S/C8H14N6O/c1-11-7-5(6(10)15)4-13-8(14-7)12-3-2-9/h4H,2-3,9H2,1H3,(H2,10,15)(H2,11,12,13,14)
InChIKeyALYYEJSTMRTGLB-UHFFFAOYSA-N
XLogP-1.01
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.01
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-(methylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide (CID 70981182) is 2-(2-aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide is CNc1nc(NCCN)ncc1C(N)=O.
What is the InChIKey of 2-(2-aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide?
The InChIKey is ALYYEJSTMRTGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O/c1-11-7-5(6(10)15)4-13-8(14-7)12-3-2-9/h4H,2-3,9H2,1H3,(H2,10,15)(H2,11,12,13,14).
What are the key properties of 2-(2-aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide?
2-(2-aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -1.01, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 70981182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).