ethane;2-methyl-N-phenylpyrimidin-4-amine

C15H23N3 — CID 90727503

IUPACethane;2-methyl-N-phenylpyrimidin-4-amine
SMILESCC.CC.Cc1nccc(Nc2ccccc2)n1
InChIInChI=1S/C11H11N3.2C2H6/c1-9-12-8-7-11(13-9)14-10-5-3-2-4-6-10;2*1-2/h2-8H,1H3,(H,12,13,14);2*1-2H3
InChIKeyNCUSHPGCYXMYHP-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.58
Rot. Bonds2

About ethane;2-methyl-N-phenylpyrimidin-4-amine

ethane;2-methyl-N-phenylpyrimidin-4-amine (PubChem CID 90727503) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is ethane;2-methyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Nameethane;2-methyl-N-phenylpyrimidin-4-amine
PubChem CID90727503
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Nameethane;2-methyl-N-phenylpyrimidin-4-amine
SMILESCC.CC.Cc1nccc(Nc2ccccc2)n1
InChIInChI=1S/C11H11N3.2C2H6/c1-9-12-8-7-11(13-9)14-10-5-3-2-4-6-10;2*1-2/h2-8H,1H3,(H,12,13,14);2*1-2H3
InChIKeyNCUSHPGCYXMYHP-UHFFFAOYSA-N
XLogP4.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 91342021
2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 70186991
N-[4-(chloromethyl)phenyl]-2-methylpyrimidin-4-amine
CID 65029159
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-4-amine
CID 117088076
2-[3-[(2-methylpyrimidin-4-yl)amino]phenyl]acetonitrile
CID 143930397
2-methyl-5-[(2-methylpyrimidin-4-yl)amino]benzoic acid
CID 63653352
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-phenylpyrimidin-4-amine
CID 90177990
2-methyl-N-phosphanylpyrimidin-4-amine
CID 59105384
N-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine
CID 118237983
4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876895
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-phenylpyrimidin-4-amine?
The IUPAC name of ethane;2-methyl-N-phenylpyrimidin-4-amine (CID 90727503) is ethane;2-methyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for ethane;2-methyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for ethane;2-methyl-N-phenylpyrimidin-4-amine is CC.CC.Cc1nccc(Nc2ccccc2)n1.
What is the InChIKey of ethane;2-methyl-N-phenylpyrimidin-4-amine?
The InChIKey is NCUSHPGCYXMYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3.2C2H6/c1-9-12-8-7-11(13-9)14-10-5-3-2-4-6-10;2*1-2/h2-8H,1H3,(H,12,13,14);2*1-2H3.
What are the key properties of ethane;2-methyl-N-phenylpyrimidin-4-amine?
ethane;2-methyl-N-phenylpyrimidin-4-amine has a molecular weight of 245.37 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 90727503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).