4,6-dimethyl-N-propan-2-ylpyrimidin-2-amine

C9H15N3 — CID 43395848

IUPAC4,6-dimethyl-N-propan-2-ylpyrimidin-2-amine
SMILESCc1cc(C)nc(NC(C)C)n1
InChIInChI=1S/C9H15N3/c1-6(2)10-9-11-7(3)5-8(4)12-9/h5-6H,1-4H3,(H,10,11,12)
InChIKeyBNNIVICOKAFRJE-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.91
Rot. Bonds2

About 4,6-dimethyl-N-propan-2-ylpyrimidin-2-amine

4,6-dimethyl-N-propan-2-ylpyrimidin-2-amine (PubChem CID 43395848) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4,6-dimethyl-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-propan-2-ylpyrimidin-2-amine
PubChem CID43395848
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4,6-dimethyl-N-propan-2-ylpyrimidin-2-amine
SMILESCc1cc(C)nc(NC(C)C)n1
InChIInChI=1S/C9H15N3/c1-6(2)10-9-11-7(3)5-8(4)12-9/h5-6H,1-4H3,(H,10,11,12)
InChIKeyBNNIVICOKAFRJE-UHFFFAOYSA-N
XLogP1.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-propan-2-ylpyrimidin-2-amine (CID 43395848) is 4,6-dimethyl-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-propan-2-ylpyrimidin-2-amine is Cc1cc(C)nc(NC(C)C)n1.
What is the InChIKey of 4,6-dimethyl-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is BNNIVICOKAFRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-6(2)10-9-11-7(3)5-8(4)12-9/h5-6H,1-4H3,(H,10,11,12).
What are the key properties of 4,6-dimethyl-N-propan-2-ylpyrimidin-2-amine?
4,6-dimethyl-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 43395848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).