2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine

C12H20N4O — CID 82456285

IUPAC2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCNc1nc(C2CC2)nc(OCC(C)C)c1N
InChIInChI=1S/C12H20N4O/c1-7(2)6-17-12-9(13)11(14-3)15-10(16-12)8-4-5-8/h7-8H,4-6,13H2,1-3H3,(H,14,15,16)
InChIKeyZXSMKUOILNDQOI-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.01
Rot. Bonds5

About 2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine

2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine (PubChem CID 82456285) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
PubChem CID82456285
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCNc1nc(C2CC2)nc(OCC(C)C)c1N
InChIInChI=1S/C12H20N4O/c1-7(2)6-17-12-9(13)11(14-3)15-10(16-12)8-4-5-8/h7-8H,4-6,13H2,1-3H3,(H,14,15,16)
InChIKeyZXSMKUOILNDQOI-UHFFFAOYSA-N
XLogP2.01
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82456288
4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
CID 82456242
4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457926
4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455507
4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine
CID 82456171
2-cyclopropyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988574
2-cyclopropyl-N,5-dimethyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 80989314
2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine
CID 82458510
2-cyclohexyl-6-methoxy-4-N-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458480
4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455531
2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine
CID 82456230
4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458313

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The IUPAC name of 2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine (CID 82456285) is 2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine is CNc1nc(C2CC2)nc(OCC(C)C)c1N.
What is the InChIKey of 2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The InChIKey is ZXSMKUOILNDQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-7(2)6-17-12-9(13)11(14-3)15-10(16-12)8-4-5-8/h7-8H,4-6,13H2,1-3H3,(H,14,15,16).
What are the key properties of 2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine has a molecular weight of 236.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 82456285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).