2-butan-2-yl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine

C13H23N3 — CID 62914200

IUPAC2-butan-2-yl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCC(C)c1nc(C)c(C(C)C)c(NC)n1
InChIInChI=1S/C13H23N3/c1-7-9(4)12-15-10(5)11(8(2)3)13(14-6)16-12/h8-9H,7H2,1-6H3,(H,14,15,16)
InChIKeyKCXPBWWXGDHJCK-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.46
Rot. Bonds4

About 2-butan-2-yl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine

2-butan-2-yl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 62914200) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-butan-2-yl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-butan-2-yl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID62914200
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-butan-2-yl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCC(C)c1nc(C)c(C(C)C)c(NC)n1
InChIInChI=1S/C13H23N3/c1-7-9(4)12-15-10(5)11(8(2)3)13(14-6)16-12/h8-9H,7H2,1-6H3,(H,14,15,16)
InChIKeyKCXPBWWXGDHJCK-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-butan-2-yl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine (CID 62914200) is 2-butan-2-yl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-butan-2-yl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-butan-2-yl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine is CCC(C)c1nc(C)c(C(C)C)c(NC)n1.
What is the InChIKey of 2-butan-2-yl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is KCXPBWWXGDHJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-7-9(4)12-15-10(5)11(8(2)3)13(14-6)16-12/h8-9H,7H2,1-6H3,(H,14,15,16).
What are the key properties of 2-butan-2-yl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine?
2-butan-2-yl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 221.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 62914200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).