2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide

C22H29N5O2 — CID 109365472

IUPAC2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C22H29N5O2/c1-16-7-9-26(10-8-16)19-5-3-18(4-6-19)25-22(28)20-15-21(24-17(2)23-20)27-11-13-29-14-12-27/h3-6,15-16H,7-14H2,1-2H3,(H,25,28)
InChIKeyPYHCSLVHCHKZPY-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.11
Rot. Bonds4

About 2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide

2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 109365472) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID109365472
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C22H29N5O2/c1-16-7-9-26(10-8-16)19-5-3-18(4-6-19)25-22(28)20-15-21(24-17(2)23-20)27-11-13-29-14-12-27/h3-6,15-16H,7-14H2,1-2H3,(H,25,28)
InChIKeyPYHCSLVHCHKZPY-UHFFFAOYSA-N
XLogP3.11
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363576
2-methyl-6-morpholin-4-yl-N-phenylpyrimidine-4-carboxamide
CID 109365407
2-methyl-6-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109362838
N-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364243
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206689
N-(3,4-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365492
N-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365450
N-(2,6-dimethylphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365418
N-(2,6-diethylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364179
N-(3-methoxyphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364198
N-(2,4-dimethylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364166
N-(4-acetamidophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362830

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 109365472) is 2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc(N2CCOCC2)n1.
What is the InChIKey of 2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is PYHCSLVHCHKZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16-7-9-26(10-8-16)19-5-3-18(4-6-19)25-22(28)20-15-21(24-17(2)23-20)27-11-13-29-14-12-27/h3-6,15-16H,7-14H2,1-2H3,(H,25,28).
What are the key properties of 2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109365472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).