4-amino-2-cyclopropyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]pyrimidine-5-carboxamide

C20H23N5O3 — CID 136542835

IUPAC4-amino-2-cyclopropyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(C3CC3)nc2N)cc1C(=O)N1CCOCC1
InChIInChI=1S/C20H23N5O3/c1-12-2-5-14(10-15(12)20(27)25-6-8-28-9-7-25)23-19(26)16-11-22-18(13-3-4-13)24-17(16)21/h2,5,10-11,13H,3-4,6-9H2,1H3,(H,23,26)(H2,21,22,24)
InChIKeyBZMMFAWHERCHBS-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.97
Rot. Bonds4

About 4-amino-2-cyclopropyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]pyrimidine-5-carboxamide

4-amino-2-cyclopropyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]pyrimidine-5-carboxamide (PubChem CID 136542835) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-amino-2-cyclopropyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-cyclopropyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]pyrimidine-5-carboxamide
PubChem CID136542835
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name4-amino-2-cyclopropyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(C3CC3)nc2N)cc1C(=O)N1CCOCC1
InChIInChI=1S/C20H23N5O3/c1-12-2-5-14(10-15(12)20(27)25-6-8-28-9-7-25)23-19(26)16-11-22-18(13-3-4-13)24-17(16)21/h2,5,10-11,13H,3-4,6-9H2,1H3,(H,23,26)(H2,21,22,24)
InChIKeyBZMMFAWHERCHBS-UHFFFAOYSA-N
XLogP1.97
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide
CID 136537639
1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide
CID 136537487
N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-quinoline-8-carboxamide
CID 154795837
N-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 92640356
N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide
CID 100752853
(4-amino-2-cyclopropylpyrimidin-5-yl)-(3-ethylazetidin-1-yl)methanone
CID 136547615
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504338
2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92639563
4-amino-2-cyclopentyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide
CID 126802002
[4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 92636049
N'-(2-cyclopropylpyrimidine-4-carbonyl)morpholine-4-carbohydrazide
CID 154860475
N-(4-chlorophenyl)-4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 110084844

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclopropyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-cyclopropyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]pyrimidine-5-carboxamide (CID 136542835) is 4-amino-2-cyclopropyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-cyclopropyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-cyclopropyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cnc(C3CC3)nc2N)cc1C(=O)N1CCOCC1.
What is the InChIKey of 4-amino-2-cyclopropyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is BZMMFAWHERCHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-12-2-5-14(10-15(12)20(27)25-6-8-28-9-7-25)23-19(26)16-11-22-18(13-3-4-13)24-17(16)21/h2,5,10-11,13H,3-4,6-9H2,1H3,(H,23,26)(H2,21,22,24).
What are the key properties of 4-amino-2-cyclopropyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]pyrimidine-5-carboxamide?
4-amino-2-cyclopropyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclopropyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 136542835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).