4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine

C20H20N4O — CID 112879528

IUPAC4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(NC3CC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H20N4O/c1-25-17-11-9-16(10-12-17)22-19-13-18(21-15-7-8-15)23-20(24-19)14-5-3-2-4-6-14/h2-6,9-13,15H,7-8H2,1H3,(H2,21,22,23,24)
InChIKeyIBMJLLVNJAOCBB-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.47
Rot. Bonds6

About 4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 112879528) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
PubChem CID112879528
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(NC3CC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H20N4O/c1-25-17-11-9-16(10-12-17)22-19-13-18(21-15-7-8-15)23-20(24-19)14-5-3-2-4-6-14/h2-6,9-13,15H,7-8H2,1H3,(H2,21,22,23,24)
InChIKeyIBMJLLVNJAOCBB-UHFFFAOYSA-N
XLogP4.47
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112879566
4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112880075
4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine
CID 112879467
6-N-(4-methoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112881709
1-[4-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112880079
4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine
CID 112880055
4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112879570
4-N-cyclopropyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrimidine-4,6-diamine
CID 112879556
2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine
CID 117088632
N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine
CID 71031794
4-N-cyclopropyl-2-phenyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112879538
N-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
CID 3590375

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine (CID 112879528) is 4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine is COc1ccc(Nc2cc(NC3CC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is IBMJLLVNJAOCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-25-17-11-9-16(10-12-17)22-19-13-18(21-15-7-8-15)23-20(24-19)14-5-3-2-4-6-14/h2-6,9-13,15H,7-8H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 332.41 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).