N-butan-2-yl-4,6-dimethylpyrimidin-2-amine

C10H17N3 — CID 21059236

IUPACN-butan-2-yl-4,6-dimethylpyrimidin-2-amine
SMILESCCC(C)Nc1nc(C)cc(C)n1
InChIInChI=1S/C10H17N3/c1-5-7(2)11-10-12-8(3)6-9(4)13-10/h6-7H,5H2,1-4H3,(H,11,12,13)
InChIKeyJONGQLYRVBHHDM-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.30
Rot. Bonds3

About N-butan-2-yl-4,6-dimethylpyrimidin-2-amine

N-butan-2-yl-4,6-dimethylpyrimidin-2-amine (PubChem CID 21059236) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-butan-2-yl-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4,6-dimethylpyrimidin-2-amine
PubChem CID21059236
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-butan-2-yl-4,6-dimethylpyrimidin-2-amine
SMILESCCC(C)Nc1nc(C)cc(C)n1
InChIInChI=1S/C10H17N3/c1-5-7(2)11-10-12-8(3)6-9(4)13-10/h6-7H,5H2,1-4H3,(H,11,12,13)
InChIKeyJONGQLYRVBHHDM-UHFFFAOYSA-N
XLogP2.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-butan-2-yl-4,6-dimethylpyrimidin-2-amine (CID 21059236) is N-butan-2-yl-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-butan-2-yl-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-butan-2-yl-4,6-dimethylpyrimidin-2-amine is CCC(C)Nc1nc(C)cc(C)n1.
What is the InChIKey of N-butan-2-yl-4,6-dimethylpyrimidin-2-amine?
The InChIKey is JONGQLYRVBHHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-5-7(2)11-10-12-8(3)6-9(4)13-10/h6-7H,5H2,1-4H3,(H,11,12,13).
What are the key properties of N-butan-2-yl-4,6-dimethylpyrimidin-2-amine?
N-butan-2-yl-4,6-dimethylpyrimidin-2-amine has a molecular weight of 179.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 21059236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).