N,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide

C15H22N4O3 — CID 110106963

IUPACN,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide
SMILESCNC(=O)C1(C)CN(C(=O)c2cnc(C(C)C)nc2)CCO1
InChIInChI=1S/C15H22N4O3/c1-10(2)12-17-7-11(8-18-12)13(20)19-5-6-22-15(3,9-19)14(21)16-4/h7-8,10H,5-6,9H2,1-4H3,(H,16,21)
InChIKeyLRXAWQUJSMOAAQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.58
Rot. Bonds3

About N,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide

N,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide (PubChem CID 110106963) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide
PubChem CID110106963
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide
SMILESCNC(=O)C1(C)CN(C(=O)c2cnc(C(C)C)nc2)CCO1
InChIInChI=1S/C15H22N4O3/c1-10(2)12-17-7-11(8-18-12)13(20)19-5-6-22-15(3,9-19)14(21)16-4/h7-8,10H,5-6,9H2,1-4H3,(H,16,21)
InChIKeyLRXAWQUJSMOAAQ-UHFFFAOYSA-N
XLogP0.58
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide?
The IUPAC name of N,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide (CID 110106963) is N,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for N,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for N,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide is CNC(=O)C1(C)CN(C(=O)c2cnc(C(C)C)nc2)CCO1.
What is the InChIKey of N,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide?
The InChIKey is LRXAWQUJSMOAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10(2)12-17-7-11(8-18-12)13(20)19-5-6-22-15(3,9-19)14(21)16-4/h7-8,10H,5-6,9H2,1-4H3,(H,16,21).
What are the key properties of N,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide?
N,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 110106963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).