5-tert-butyl-N-(2-methylpropyl)pyrimidin-2-amine

C12H21N3 — CID 169018412

IUPAC5-tert-butyl-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)CNc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C12H21N3/c1-9(2)6-13-11-14-7-10(8-15-11)12(3,4)5/h7-9H,6H2,1-5H3,(H,13,14,15)
InChIKeyGGPGCFBPWPIPTI-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.84
Rot. Bonds3

About 5-tert-butyl-N-(2-methylpropyl)pyrimidin-2-amine

5-tert-butyl-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 169018412) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-tert-butyl-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(2-methylpropyl)pyrimidin-2-amine
PubChem CID169018412
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-tert-butyl-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)CNc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C12H21N3/c1-9(2)6-13-11-14-7-10(8-15-11)12(3,4)5/h7-9H,6H2,1-5H3,(H,13,14,15)
InChIKeyGGPGCFBPWPIPTI-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-tert-butyl-N-(2-methylpropyl)pyrimidin-2-amine (CID 169018412) is 5-tert-butyl-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-tert-butyl-N-(2-methylpropyl)pyrimidin-2-amine is CC(C)CNc1ncc(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is GGPGCFBPWPIPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)6-13-11-14-7-10(8-15-11)12(3,4)5/h7-9H,6H2,1-5H3,(H,13,14,15).
What are the key properties of 5-tert-butyl-N-(2-methylpropyl)pyrimidin-2-amine?
5-tert-butyl-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 169018412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).