N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine

C21H21ClN4O — CID 112935378

IUPACN-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
SMILESClc1ccc(CNc2nc(-c3ccccc3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H21ClN4O/c22-18-8-6-16(7-9-18)15-23-21-24-19(17-4-2-1-3-5-17)14-20(25-21)26-10-12-27-13-11-26/h1-9,14H,10-13,15H2,(H,23,24,25)
InChIKeyMEKCNNYVVZLGQN-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.25
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine

N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine (PubChem CID 112935378) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
PubChem CID112935378
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
SMILESClc1ccc(CNc2nc(-c3ccccc3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H21ClN4O/c22-18-8-6-16(7-9-18)15-23-21-24-19(17-4-2-1-3-5-17)14-20(25-21)26-10-12-27-13-11-26/h1-9,14H,10-13,15H2,(H,23,24,25)
InChIKeyMEKCNNYVVZLGQN-UHFFFAOYSA-N
XLogP4.25
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidin-2-amine
CID 112935363
N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934497
N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935473
4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934103
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936254
4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112934723
N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935485
4-methyl-6-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112912080
4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine
CID 166228948
2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937029
1-benzyl-3-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)thiourea
CID 100780982
N-[(4-chlorophenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine
CID 112918084

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine (CID 112935378) is N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine is Clc1ccc(CNc2nc(-c3ccccc3)cc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine?
The InChIKey is MEKCNNYVVZLGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c22-18-8-6-16(7-9-18)15-23-21-24-19(17-4-2-1-3-5-17)14-20(25-21)26-10-12-27-13-11-26/h1-9,14H,10-13,15H2,(H,23,24,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine?
N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine has a molecular weight of 380.88 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 112935378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).