6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine

C12H20FN3 — CID 102907378

IUPAC6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
SMILESCC(C)C(CNc1cc(F)ncn1)C(C)C
InChIInChI=1S/C12H20FN3/c1-8(2)10(9(3)4)6-14-12-5-11(13)15-7-16-12/h5,7-10H,6H2,1-4H3,(H,14,15,16)
InChIKeyXHHCRKFUSWYDMP-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.96
Rot. Bonds5

About 6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine

6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine (PubChem CID 102907378) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
PubChem CID102907378
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
SMILESCC(C)C(CNc1cc(F)ncn1)C(C)C
InChIInChI=1S/C12H20FN3/c1-8(2)10(9(3)4)6-14-12-5-11(13)15-7-16-12/h5,7-10H,6H2,1-4H3,(H,14,15,16)
InChIKeyXHHCRKFUSWYDMP-UHFFFAOYSA-N
XLogP2.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine (CID 102907378) is 6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine is CC(C)C(CNc1cc(F)ncn1)C(C)C.
What is the InChIKey of 6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine?
The InChIKey is XHHCRKFUSWYDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-8(2)10(9(3)4)6-14-12-5-11(13)15-7-16-12/h5,7-10H,6H2,1-4H3,(H,14,15,16).
What are the key properties of 6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine?
6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine has a molecular weight of 225.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 102907378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).