2-methyl-5-[(4-phenoxyanilino)methyl]pyrimidin-4-amine

C18H18N4O — CID 139913956

IUPAC2-methyl-5-[(4-phenoxyanilino)methyl]pyrimidin-4-amine
SMILESCc1ncc(CNc2ccc(Oc3ccccc3)cc2)c(N)n1
InChIInChI=1S/C18H18N4O/c1-13-20-11-14(18(19)22-13)12-21-15-7-9-17(10-8-15)23-16-5-3-2-4-6-16/h2-11,21H,12H2,1H3,(H2,19,20,22)
InChIKeyRCCRFUATGZZUBI-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.77
Rot. Bonds5

About 2-methyl-5-[(4-phenoxyanilino)methyl]pyrimidin-4-amine

2-methyl-5-[(4-phenoxyanilino)methyl]pyrimidin-4-amine (PubChem CID 139913956) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-methyl-5-[(4-phenoxyanilino)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-[(4-phenoxyanilino)methyl]pyrimidin-4-amine
PubChem CID139913956
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-methyl-5-[(4-phenoxyanilino)methyl]pyrimidin-4-amine
SMILESCc1ncc(CNc2ccc(Oc3ccccc3)cc2)c(N)n1
InChIInChI=1S/C18H18N4O/c1-13-20-11-14(18(19)22-13)12-21-15-7-9-17(10-8-15)23-16-5-3-2-4-6-16/h2-11,21H,12H2,1H3,(H2,19,20,22)
InChIKeyRCCRFUATGZZUBI-UHFFFAOYSA-N
XLogP3.77
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[(2-phenoxyhydrazinyl)methyl]pyrimidin-4-amine
CID 91071139
2-methyl-5-[[4-(trifluoromethyl)anilino]methyl]pyrimidin-4-amine
CID 155568861
5-[(4-methoxyanilino)methyl]pyrimidine-2,4-diamine
CID 46888181
5-(anilinomethyl)pyrimidine-2,4-diamine
CID 516692
5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine
CID 155559046
1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]urea
CID 20791522
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117506
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126121743
N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline
CID 54796711
N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806748
5-ethyl-2-methylpyrimidin-4-amine
CID 22978191
4-[4-[2-[4-[4-[(4-phenoxyphenoxy)methylamino]phenoxy]phenyl]propan-2-yl]phenoxy]aniline
CID 59048775

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-phenoxyanilino)methyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-[(4-phenoxyanilino)methyl]pyrimidin-4-amine (CID 139913956) is 2-methyl-5-[(4-phenoxyanilino)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-[(4-phenoxyanilino)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-[(4-phenoxyanilino)methyl]pyrimidin-4-amine is Cc1ncc(CNc2ccc(Oc3ccccc3)cc2)c(N)n1.
What is the InChIKey of 2-methyl-5-[(4-phenoxyanilino)methyl]pyrimidin-4-amine?
The InChIKey is RCCRFUATGZZUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-20-11-14(18(19)22-13)12-21-15-7-9-17(10-8-15)23-16-5-3-2-4-6-16/h2-11,21H,12H2,1H3,(H2,19,20,22).
What are the key properties of 2-methyl-5-[(4-phenoxyanilino)methyl]pyrimidin-4-amine?
2-methyl-5-[(4-phenoxyanilino)methyl]pyrimidin-4-amine has a molecular weight of 306.37 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-phenoxyanilino)methyl]pyrimidin-4-amine is sourced from PubChem (CID 139913956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).