N-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide

C29H33FN4O2 — CID 11620083

IUPACN-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCC(C)(C)c1ccc(CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C2CC2)cc1
InChIInChI=1S/C29H33FN4O2/c1-29(2,3)21-10-8-20(9-11-21)19-34(22-12-13-22)27(35)24-18-31-28(33-14-16-36-17-15-33)32-26(24)23-6-4-5-7-25(23)30/h4-11,18,22H,12-17,19H2,1-3H3
InChIKeyHUINDQDCHCJFEL-UHFFFAOYSA-N
MW488.61 g/mol
LogP5.22
Rot. Bonds6

About N-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide

N-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 11620083) has the molecular formula C29H33FN4O2 and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID11620083
Molecular FormulaC29H33FN4O2
Molecular Weight488.61 g/mol
Exact Mass488.26
IUPAC NameN-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCC(C)(C)c1ccc(CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C2CC2)cc1
InChIInChI=1S/C29H33FN4O2/c1-29(2,3)21-10-8-20(9-11-21)19-34(22-12-13-22)27(35)24-18-31-28(33-14-16-36-17-15-33)32-26(24)23-6-4-5-7-25(23)30/h4-11,18,22H,12-17,19H2,1-3H3
InChIKeyHUINDQDCHCJFEL-UHFFFAOYSA-N
XLogP5.22
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.61
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Momelotinib
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CID 23653628
Preparation of n-(cyanomethyl)-4-(5-methyl-2-((4-(4-morpholinopiperidin-1-yl)phenyl)amino)pyrimidin-4-yl)benzamide
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CID 25059626
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CID 25061435
4-(2-(4-Morpholinophenylamino)pyrimidin-4-yl)benzamide
CID 25061438
N-(cyanomethyl)-4-(2-(3-morpholinophenylamino)pyrimidin-4-yl)benzamide
CID 25061949
N-(2-cyanopropan-2-yl)-4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide
CID 25061950
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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 11620083) is N-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is CC(C)(C)c1ccc(CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C2CC2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is HUINDQDCHCJFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN4O2/c1-29(2,3)21-10-8-20(9-11-21)19-34(22-12-13-22)27(35)24-18-31-28(33-14-16-36-17-15-33)32-26(24)23-6-4-5-7-25(23)30/h4-11,18,22H,12-17,19H2,1-3H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 488.61 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 11620083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).