4-(2-aminopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide

C15H19N7O — CID 56892885

IUPAC4-(2-aminopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
SMILESNc1nccc(N2CCNC(C(=O)NCc3ccccn3)C2)n1
InChIInChI=1S/C15H19N7O/c16-15-19-6-4-13(21-15)22-8-7-18-12(10-22)14(23)20-9-11-3-1-2-5-17-11/h1-6,12,18H,7-10H2,(H,20,23)(H2,16,19,21)
InChIKeyUQWWNUZACXTGMM-UHFFFAOYSA-N
MW313.37 g/mol
LogP-0.45
Rot. Bonds4

About 4-(2-aminopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide

4-(2-aminopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide (PubChem CID 56892885) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-(2-aminopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
PubChem CID56892885
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name4-(2-aminopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
SMILESNc1nccc(N2CCNC(C(=O)NCc3ccccn3)C2)n1
InChIInChI=1S/C15H19N7O/c16-15-19-6-4-13(21-15)22-8-7-18-12(10-22)14(23)20-9-11-3-1-2-5-17-11/h1-6,12,18H,7-10H2,(H,20,23)(H2,16,19,21)
InChIKeyUQWWNUZACXTGMM-UHFFFAOYSA-N
XLogP-0.45
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of 4-(2-aminopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide (CID 56892885) is 4-(2-aminopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-(2-aminopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for 4-(2-aminopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide is Nc1nccc(N2CCNC(C(=O)NCc3ccccn3)C2)n1.
What is the InChIKey of 4-(2-aminopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
The InChIKey is UQWWNUZACXTGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c16-15-19-6-4-13(21-15)22-8-7-18-12(10-22)14(23)20-9-11-3-1-2-5-17-11/h1-6,12,18H,7-10H2,(H,20,23)(H2,16,19,21).
What are the key properties of 4-(2-aminopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
4-(2-aminopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide has a molecular weight of 313.37 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 56892885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).