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

C12H20N4O — CID 82455507

IUPAC4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCc1nc(NC2CC2)c(N)c(OCC(C)C)n1
InChIInChI=1S/C12H20N4O/c1-7(2)6-17-12-10(13)11(14-8(3)15-12)16-9-4-5-9/h7,9H,4-6,13H2,1-3H3,(H,14,15,16)
InChIKeyDQDNUEMMULZRCP-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.98
Rot. Bonds5

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

4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine (PubChem CID 82455507) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
PubChem CID82455507
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCc1nc(NC2CC2)c(N)c(OCC(C)C)n1
InChIInChI=1S/C12H20N4O/c1-7(2)6-17-12-10(13)11(14-8(3)15-12)16-9-4-5-9/h7,9H,4-6,13H2,1-3H3,(H,14,15,16)
InChIKeyDQDNUEMMULZRCP-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455531
4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82456288
4-N-ethyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455505
4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458313
4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455194
4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455513
4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455515
6-butoxy-4-N-cycloheptyl-2-methylpyrimidine-4,5-diamine
CID 82455497
2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455532
4-N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455541
4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458201
2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82456285

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine (CID 82455507) is 4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine is Cc1nc(NC2CC2)c(N)c(OCC(C)C)n1.
What is the InChIKey of 4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The InChIKey is DQDNUEMMULZRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-7(2)6-17-12-10(13)11(14-8(3)15-12)16-9-4-5-9/h7,9H,4-6,13H2,1-3H3,(H,14,15,16).
What are the key properties of 4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 82455507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).