4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine

C12H20N4O — CID 82458201

IUPAC4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCOc1nc(CC(C)C)nc(NC2CC2)c1N
InChIInChI=1S/C12H20N4O/c1-7(2)6-9-15-11(14-8-4-5-8)10(13)12(16-9)17-3/h7-8H,4-6,13H2,1-3H3,(H,14,15,16)
InChIKeyZOWOZGQZTCQSKJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.84
Rot. Bonds5

About 4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine

4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine (PubChem CID 82458201) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
PubChem CID82458201
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCOc1nc(CC(C)C)nc(NC2CC2)c1N
InChIInChI=1S/C12H20N4O/c1-7(2)6-9-15-11(14-8-4-5-8)10(13)12(16-9)17-3/h7-8H,4-6,13H2,1-3H3,(H,14,15,16)
InChIKeyZOWOZGQZTCQSKJ-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458313
6-chloro-4-N-cyclopropyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459485
6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458232
6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459498
6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459511
4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine
CID 82456171
4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455507
4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458307
4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82456288
2-ethyl-6-methoxy-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine
CID 82455593
6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458334
4-N-[2-(dimethylamino)ethyl]-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458314

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine (CID 82458201) is 4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine is COc1nc(CC(C)C)nc(NC2CC2)c1N.
What is the InChIKey of 4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The InChIKey is ZOWOZGQZTCQSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-7(2)6-9-15-11(14-8-4-5-8)10(13)12(16-9)17-3/h7-8H,4-6,13H2,1-3H3,(H,14,15,16).
What are the key properties of 4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine?
4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82458201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).