4-methyl-6-(2-methylpropoxy)-N-propan-2-ylpyrimidin-2-amine

C12H21N3O — CID 56843735

IUPAC4-methyl-6-(2-methylpropoxy)-N-propan-2-ylpyrimidin-2-amine
SMILESCc1cc(OCC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C12H21N3O/c1-8(2)7-16-11-6-10(5)14-12(15-11)13-9(3)4/h6,8-9H,7H2,1-5H3,(H,13,14,15)
InChIKeyJZNCBEBLYWQDHV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.64
Rot. Bonds5

About 4-methyl-6-(2-methylpropoxy)-N-propan-2-ylpyrimidin-2-amine

4-methyl-6-(2-methylpropoxy)-N-propan-2-ylpyrimidin-2-amine (PubChem CID 56843735) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-methyl-6-(2-methylpropoxy)-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(2-methylpropoxy)-N-propan-2-ylpyrimidin-2-amine
PubChem CID56843735
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-methyl-6-(2-methylpropoxy)-N-propan-2-ylpyrimidin-2-amine
SMILESCc1cc(OCC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C12H21N3O/c1-8(2)7-16-11-6-10(5)14-12(15-11)13-9(3)4/h6,8-9H,7H2,1-5H3,(H,13,14,15)
InChIKeyJZNCBEBLYWQDHV-UHFFFAOYSA-N
XLogP2.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methylpropoxy)-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(2-methylpropoxy)-N-propan-2-ylpyrimidin-2-amine (CID 56843735) is 4-methyl-6-(2-methylpropoxy)-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(2-methylpropoxy)-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(2-methylpropoxy)-N-propan-2-ylpyrimidin-2-amine is Cc1cc(OCC(C)C)nc(NC(C)C)n1.
What is the InChIKey of 4-methyl-6-(2-methylpropoxy)-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is JZNCBEBLYWQDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)7-16-11-6-10(5)14-12(15-11)13-9(3)4/h6,8-9H,7H2,1-5H3,(H,13,14,15).
What are the key properties of 4-methyl-6-(2-methylpropoxy)-N-propan-2-ylpyrimidin-2-amine?
4-methyl-6-(2-methylpropoxy)-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methylpropoxy)-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 56843735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).