2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine

C19H24N4O2 — CID 46226006

IUPAC2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(NCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C19H24N4O2/c1-13-9-18(22-15-5-3-2-4-6-15)23-19(21-13)20-11-14-7-8-16-17(10-14)25-12-24-16/h7-10,15H,2-6,11-12H2,1H3,(H2,20,21,22,23)
InChIKeyWZBZLIHEXPNWCH-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.87
Rot. Bonds5

About 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine

2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine (PubChem CID 46226006) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
PubChem CID46226006
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(NCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C19H24N4O2/c1-13-9-18(22-15-5-3-2-4-6-15)23-19(21-13)20-11-14-7-8-16-17(10-14)25-12-24-16/h7-10,15H,2-6,11-12H2,1H3,(H2,20,21,22,23)
InChIKeyWZBZLIHEXPNWCH-UHFFFAOYSA-N
XLogP3.87
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Piribedil
CID 4850
Piribedil Hydrochloride
CID 3038520
N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-2,4-pyrimidinediamine
CID 11210285
6-(benzo[d][1,3]dioxol-5-yl)-N-neopentylquinazolin-4-amine
CID 46916176
6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 142432918
Benzo[1,3]dioxol-5-ylmethyl-quinazolin-4-yl-amine
CID 10356247
2-(1,3-benzodioxol-5-yl)-N-(3-pyridinylmethyl)-4-pyrimidinamine
CID 3234998
4-(1,3-Benzodioxol-5-yl)-2-methylpyrimidine
CID 1477776
N-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-4-quinazolinamine
CID 1490272
5-(2H-1,3-benzodioxol-5-yl)-6-{2-[4-(dimethylamino)phenyl]ethynyl}pyrimidin-4-amine
CID 23646788
5-(aminomethyl)-6-(2H-1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-amine
CID 10286494
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine (CID 46226006) is 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine is Cc1cc(NC2CCCCC2)nc(NCc2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is WZBZLIHEXPNWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-9-18(22-15-5-3-2-4-6-15)23-19(21-13)20-11-14-7-8-16-17(10-14)25-12-24-16/h7-10,15H,2-6,11-12H2,1H3,(H2,20,21,22,23).
What are the key properties of 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine?
2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 340.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 46226006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).