2-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine

C17H31N3 — CID 63891570

IUPAC2-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
SMILESCc1nc(CC(C)(C)C)nc(C)c1C(C)CNC(C)C
InChIInChI=1S/C17H31N3/c1-11(2)18-10-12(3)16-13(4)19-15(20-14(16)5)9-17(6,7)8/h11-12,18H,9-10H2,1-8H3
InChIKeyBTAVTRCETSZCDV-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.78
Rot. Bonds5

About 2-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine

2-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 63891570) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
PubChem CID63891570
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
SMILESCc1nc(CC(C)(C)C)nc(C)c1C(C)CNC(C)C
InChIInChI=1S/C17H31N3/c1-11(2)18-10-12(3)16-13(4)19-15(20-14(16)5)9-17(6,7)8/h11-12,18H,9-10H2,1-8H3
InChIKeyBTAVTRCETSZCDV-UHFFFAOYSA-N
XLogP3.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine (CID 63891570) is 2-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine is Cc1nc(CC(C)(C)C)nc(C)c1C(C)CNC(C)C.
What is the InChIKey of 2-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is BTAVTRCETSZCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-11(2)18-10-12(3)16-13(4)19-15(20-14(16)5)9-17(6,7)8/h11-12,18H,9-10H2,1-8H3.
What are the key properties of 2-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
2-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 63891570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).