4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine

C11H19N3 — CID 155088111

IUPAC4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Cc1ccnc(NC(C)C)n1
InChIInChI=1S/C11H19N3/c1-8(2)7-10-5-6-12-11(14-10)13-9(3)4/h5-6,8-9H,7H2,1-4H3,(H,12,13,14)
InChIKeyGUPUSDUGJLXFEE-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.50
Rot. Bonds4

About 4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine

4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine (PubChem CID 155088111) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
PubChem CID155088111
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Cc1ccnc(NC(C)C)n1
InChIInChI=1S/C11H19N3/c1-8(2)7-10-5-6-12-11(14-10)13-9(3)4/h5-6,8-9H,7H2,1-4H3,(H,12,13,14)
InChIKeyGUPUSDUGJLXFEE-UHFFFAOYSA-N
XLogP2.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine (CID 155088111) is 4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine is CC(C)Cc1ccnc(NC(C)C)n1.
What is the InChIKey of 4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is GUPUSDUGJLXFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(2)7-10-5-6-12-11(14-10)13-9(3)4/h5-6,8-9H,7H2,1-4H3,(H,12,13,14).
What are the key properties of 4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine?
4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 155088111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).