N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide

C13H18N4O2 — CID 66505785

IUPACN-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCOCC2)ncc1C(=O)NC1CC1
InChIInChI=1S/C13H18N4O2/c1-9-11(12(18)16-10-2-3-10)8-14-13(15-9)17-4-6-19-7-5-17/h8,10H,2-7H2,1H3,(H,16,18)
InChIKeyCPHRVYGNAVZACW-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.51
Rot. Bonds3

About N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide

N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 66505785) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID66505785
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCOCC2)ncc1C(=O)NC1CC1
InChIInChI=1S/C13H18N4O2/c1-9-11(12(18)16-10-2-3-10)8-14-13(15-9)17-4-6-19-7-5-17/h8,10H,2-7H2,1H3,(H,16,18)
InChIKeyCPHRVYGNAVZACW-UHFFFAOYSA-N
XLogP0.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 66505785) is N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide is Cc1nc(N2CCOCC2)ncc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is CPHRVYGNAVZACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-11(12(18)16-10-2-3-10)8-14-13(15-9)17-4-6-19-7-5-17/h8,10H,2-7H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 66505785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).