6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile

C16H16N4O — CID 39380254

IUPAC6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile
SMILESCc1ccc(-c2cc(C#N)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C16H16N4O/c1-12-2-4-13(5-3-12)15-10-14(11-17)18-16(19-15)20-6-8-21-9-7-20/h2-5,10H,6-9H2,1H3
InChIKeyHJOPNDLNAAYKGN-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.16
Rot. Bonds2

About 6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile

6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile (PubChem CID 39380254) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile
PubChem CID39380254
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile
SMILESCc1ccc(-c2cc(C#N)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C16H16N4O/c1-12-2-4-13(5-3-12)15-10-14(11-17)18-16(19-15)20-6-8-21-9-7-20/h2-5,10H,6-9H2,1H3
InChIKeyHJOPNDLNAAYKGN-UHFFFAOYSA-N
XLogP2.16
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile
CID 698584
4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
CID 2992799
4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
CID 1338553
2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39248129
6-(3-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile
CID 39380253
2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol
CID 1110902
4-[4-(2-methoxyphenyl)-6-phenylpyrimidin-2-yl]morpholine
CID 909883
4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide
CID 42613285
4-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345940
[6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride
CID 82022744
1-(3-chloro-2-pyridinyl)-3-methylpiperazine;4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)benzonitrile
CID 142990648
4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 174424268

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile?
The IUPAC name of 6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile (CID 39380254) is 6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile is Cc1ccc(-c2cc(C#N)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile?
The InChIKey is HJOPNDLNAAYKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-12-2-4-13(5-3-12)15-10-14(11-17)18-16(19-15)20-6-8-21-9-7-20/h2-5,10H,6-9H2,1H3.
What are the key properties of 6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile?
6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile is sourced from PubChem (CID 39380254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).