6-[1-(dimethylamino)-3-methylbutyl]-N-propan-2-ylpyrimidin-4-amine

C14H26N4 — CID 59376836

IUPAC6-[1-(dimethylamino)-3-methylbutyl]-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)CC(c1cc(NC(C)C)ncn1)N(C)C
InChIInChI=1S/C14H26N4/c1-10(2)7-13(18(5)6)12-8-14(16-9-15-12)17-11(3)4/h8-11,13H,7H2,1-6H3,(H,15,16,17)
InChIKeyOPWKOMSDNIJRAS-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.95
Rot. Bonds6

About 6-[1-(dimethylamino)-3-methylbutyl]-N-propan-2-ylpyrimidin-4-amine

6-[1-(dimethylamino)-3-methylbutyl]-N-propan-2-ylpyrimidin-4-amine (PubChem CID 59376836) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 6-[1-(dimethylamino)-3-methylbutyl]-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[1-(dimethylamino)-3-methylbutyl]-N-propan-2-ylpyrimidin-4-amine
PubChem CID59376836
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name6-[1-(dimethylamino)-3-methylbutyl]-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)CC(c1cc(NC(C)C)ncn1)N(C)C
InChIInChI=1S/C14H26N4/c1-10(2)7-13(18(5)6)12-8-14(16-9-15-12)17-11(3)4/h8-11,13H,7H2,1-6H3,(H,15,16,17)
InChIKeyOPWKOMSDNIJRAS-UHFFFAOYSA-N
XLogP2.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(dimethylamino)-3-methylbutyl]-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[1-(dimethylamino)-3-methylbutyl]-N-propan-2-ylpyrimidin-4-amine (CID 59376836) is 6-[1-(dimethylamino)-3-methylbutyl]-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[1-(dimethylamino)-3-methylbutyl]-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[1-(dimethylamino)-3-methylbutyl]-N-propan-2-ylpyrimidin-4-amine is CC(C)CC(c1cc(NC(C)C)ncn1)N(C)C.
What is the InChIKey of 6-[1-(dimethylamino)-3-methylbutyl]-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is OPWKOMSDNIJRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-10(2)7-13(18(5)6)12-8-14(16-9-15-12)17-11(3)4/h8-11,13H,7H2,1-6H3,(H,15,16,17).
What are the key properties of 6-[1-(dimethylamino)-3-methylbutyl]-N-propan-2-ylpyrimidin-4-amine?
6-[1-(dimethylamino)-3-methylbutyl]-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 250.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(dimethylamino)-3-methylbutyl]-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 59376836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).