2-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

C19H26N4O2 — CID 139010596

IUPAC2-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nccc(N(C)C)n2)c(OC2CCCC2)c1
InChIInChI=1S/C19H26N4O2/c1-23(2)18-10-11-20-19(22-18)21-13-14-8-9-16(24-3)12-17(14)25-15-6-4-5-7-15/h8-12,15H,4-7,13H2,1-3H3,(H,20,21,22)
InChIKeyHMMRFLCXAUCPAJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.48
Rot. Bonds7

About 2-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

2-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 139010596) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID139010596
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nccc(N(C)C)n2)c(OC2CCCC2)c1
InChIInChI=1S/C19H26N4O2/c1-23(2)18-10-11-20-19(22-18)21-13-14-8-9-16(24-3)12-17(14)25-15-6-4-5-7-15/h8-12,15H,4-7,13H2,1-3H3,(H,20,21,22)
InChIKeyHMMRFLCXAUCPAJ-UHFFFAOYSA-N
XLogP3.48
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 139004064
N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63056453
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 133492466
N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine
CID 83228718
5-bromo-4-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]-2-methoxyphenol
CID 167973223
(E)-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(dimethylamino)but-2-enamide
CID 146101068
1-(2,4-dimethoxyphenyl)-3-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]thiourea
CID 23027635
2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553954
1-cyclopentyl-3-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylguanidine
CID 111963781
3-bromo-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133356772
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide
CID 146107018
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 139010596) is 2-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is COc1ccc(CNc2nccc(N(C)C)n2)c(OC2CCCC2)c1.
What is the InChIKey of 2-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is HMMRFLCXAUCPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-23(2)18-10-11-20-19(22-18)21-13-14-8-9-16(24-3)12-17(14)25-15-6-4-5-7-15/h8-12,15H,4-7,13H2,1-3H3,(H,20,21,22).
What are the key properties of 2-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
2-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 342.44 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 139010596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).