1-[4-(fluoromethyl)hexan-2-yl]-N,3-dimethyl-2-methylidene-4H-pyrimidin-4-amine

C14H26FN3 — CID 155359039

IUPAC1-[4-(fluoromethyl)hexan-2-yl]-N,3-dimethyl-2-methylidene-4H-pyrimidin-4-amine
SMILESC=C1N(C)C(NC)C=CN1C(C)CC(CC)CF
InChIInChI=1S/C14H26FN3/c1-6-13(10-15)9-11(2)18-8-7-14(16-4)17(5)12(18)3/h7-8,11,13-14,16H,3,6,9-10H2,1-2,4-5H3
InChIKeyQVORKCZHHYONOD-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.54
Rot. Bonds6

About 1-[4-(fluoromethyl)hexan-2-yl]-N,3-dimethyl-2-methylidene-4H-pyrimidin-4-amine

1-[4-(fluoromethyl)hexan-2-yl]-N,3-dimethyl-2-methylidene-4H-pyrimidin-4-amine (PubChem CID 155359039) has the molecular formula C14H26FN3 and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-[4-(fluoromethyl)hexan-2-yl]-N,3-dimethyl-2-methylidene-4H-pyrimidin-4-amine.

Molecular Properties

Compound Name1-[4-(fluoromethyl)hexan-2-yl]-N,3-dimethyl-2-methylidene-4H-pyrimidin-4-amine
PubChem CID155359039
Molecular FormulaC14H26FN3
Molecular Weight255.38 g/mol
Exact Mass255.21
IUPAC Name1-[4-(fluoromethyl)hexan-2-yl]-N,3-dimethyl-2-methylidene-4H-pyrimidin-4-amine
SMILESC=C1N(C)C(NC)C=CN1C(C)CC(CC)CF
InChIInChI=1S/C14H26FN3/c1-6-13(10-15)9-11(2)18-8-7-14(16-4)17(5)12(18)3/h7-8,11,13-14,16H,3,6,9-10H2,1-2,4-5H3
InChIKeyQVORKCZHHYONOD-UHFFFAOYSA-N
XLogP2.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(fluoromethyl)hexan-2-yl]-N,3-dimethyl-2-methylidene-4H-pyrimidin-4-amine?
The IUPAC name of 1-[4-(fluoromethyl)hexan-2-yl]-N,3-dimethyl-2-methylidene-4H-pyrimidin-4-amine (CID 155359039) is 1-[4-(fluoromethyl)hexan-2-yl]-N,3-dimethyl-2-methylidene-4H-pyrimidin-4-amine.
What is the SMILES notation for 1-[4-(fluoromethyl)hexan-2-yl]-N,3-dimethyl-2-methylidene-4H-pyrimidin-4-amine?
The canonical SMILES for 1-[4-(fluoromethyl)hexan-2-yl]-N,3-dimethyl-2-methylidene-4H-pyrimidin-4-amine is C=C1N(C)C(NC)C=CN1C(C)CC(CC)CF.
What is the InChIKey of 1-[4-(fluoromethyl)hexan-2-yl]-N,3-dimethyl-2-methylidene-4H-pyrimidin-4-amine?
The InChIKey is QVORKCZHHYONOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FN3/c1-6-13(10-15)9-11(2)18-8-7-14(16-4)17(5)12(18)3/h7-8,11,13-14,16H,3,6,9-10H2,1-2,4-5H3.
What are the key properties of 1-[4-(fluoromethyl)hexan-2-yl]-N,3-dimethyl-2-methylidene-4H-pyrimidin-4-amine?
1-[4-(fluoromethyl)hexan-2-yl]-N,3-dimethyl-2-methylidene-4H-pyrimidin-4-amine has a molecular weight of 255.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(fluoromethyl)hexan-2-yl]-N,3-dimethyl-2-methylidene-4H-pyrimidin-4-amine is sourced from PubChem (CID 155359039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).