N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide

C19H24N4O2 — CID 109343498

IUPACN-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cc(N3CCOCC3)ncn2)cc1
InChIInChI=1S/C19H24N4O2/c1-19(2,3)14-4-6-15(7-5-14)22-18(24)16-12-17(21-13-20-16)23-8-10-25-11-9-23/h4-7,12-13H,8-11H2,1-3H3,(H,22,24)
InChIKeyPLGUQNRHDSKNCE-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.86
Rot. Bonds3

About N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide

N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 109343498) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID109343498
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cc(N3CCOCC3)ncn2)cc1
InChIInChI=1S/C19H24N4O2/c1-19(2,3)14-4-6-15(7-5-14)22-18(24)16-12-17(21-13-20-16)23-8-10-25-11-9-23/h4-7,12-13H,8-11H2,1-3H3,(H,22,24)
InChIKeyPLGUQNRHDSKNCE-UHFFFAOYSA-N
XLogP2.86
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343519
N-(4-tert-butylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344488
6-morpholin-4-yl-N-pyridin-3-ylpyrimidine-4-carboxamide
CID 91816399
6-morpholin-4-yl-N-quinolin-6-ylpyrimidine-4-carboxamide
CID 91816462
N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300433
N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 127267349
N-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 139021619
6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109345059
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109341612
6-(azepan-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109355558
N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343494
N-(4-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342251

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 109343498) is N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is CC(C)(C)c1ccc(NC(=O)c2cc(N3CCOCC3)ncn2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is PLGUQNRHDSKNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-19(2,3)14-4-6-15(7-5-14)22-18(24)16-12-17(21-13-20-16)23-8-10-25-11-9-23/h4-7,12-13H,8-11H2,1-3H3,(H,22,24).
What are the key properties of N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109343498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).