4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

C15H18N4O — CID 123331778

IUPAC4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCc1ccnc(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C15H18N4O/c1-12-6-7-16-15(17-12)18-13-2-4-14(5-3-13)19-8-10-20-11-9-19/h2-7H,8-11H2,1H3,(H,16,17,18)
InChIKeyKBZYCBPTFUFJLV-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.37
Rot. Bonds3

About 4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 123331778) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID123331778
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCc1ccnc(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C15H18N4O/c1-12-6-7-16-15(17-12)18-13-2-4-14(5-3-13)19-8-10-20-11-9-19/h2-7H,8-11H2,1H3,(H,16,17,18)
InChIKeyKBZYCBPTFUFJLV-UHFFFAOYSA-N
XLogP2.37
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 171509337
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-2H-1,3-thiazol-3-amine
CID 67269625
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 46882411
morpholin-4-yl-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109300656
1-(6-methyl-2-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
CID 58976097
4-N,4-N-diethyl-1-N-(4-morpholin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112886496
4-N-(4-methylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901954
2-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 154271986
2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 116796160
methyl 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzoate
CID 112886492

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 123331778) is 4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is Cc1ccnc(Nc2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of 4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is KBZYCBPTFUFJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-12-6-7-16-15(17-12)18-13-2-4-14(5-3-13)19-8-10-20-11-9-19/h2-7H,8-11H2,1H3,(H,16,17,18).
What are the key properties of 4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 270.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 123331778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).