2-(benzylamino)-6-morpholin-4-ylpyrimidine-4-carboxamide

C16H19N5O2 — CID 71456697

IUPAC2-(benzylamino)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESNC(=O)c1cc(N2CCOCC2)nc(NCc2ccccc2)n1
InChIInChI=1S/C16H19N5O2/c17-15(22)13-10-14(21-6-8-23-9-7-21)20-16(19-13)18-11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H2,17,22)(H,18,19,20)
InChIKeyPSGYGRVCOXACOA-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.02
Rot. Bonds5

About 2-(benzylamino)-6-morpholin-4-ylpyrimidine-4-carboxamide

2-(benzylamino)-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 71456697) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(benzylamino)-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID71456697
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-(benzylamino)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESNC(=O)c1cc(N2CCOCC2)nc(NCc2ccccc2)n1
InChIInChI=1S/C16H19N5O2/c17-15(22)13-10-14(21-6-8-23-9-7-21)20-16(19-13)18-11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H2,17,22)(H,18,19,20)
InChIKeyPSGYGRVCOXACOA-UHFFFAOYSA-N
XLogP1.02
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-(benzylamino)-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 71456697) is 2-(benzylamino)-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(benzylamino)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(benzylamino)-6-morpholin-4-ylpyrimidine-4-carboxamide is NC(=O)c1cc(N2CCOCC2)nc(NCc2ccccc2)n1.
What is the InChIKey of 2-(benzylamino)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is PSGYGRVCOXACOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c17-15(22)13-10-14(21-6-8-23-9-7-21)20-16(19-13)18-11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H2,17,22)(H,18,19,20).
What are the key properties of 2-(benzylamino)-6-morpholin-4-ylpyrimidine-4-carboxamide?
2-(benzylamino)-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 71456697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).