5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine

C9H14FN3O — CID 115749945

IUPAC5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine
SMILESCOCCCCNc1ncc(F)cn1
InChIInChI=1S/C9H14FN3O/c1-14-5-3-2-4-11-9-12-6-8(10)7-13-9/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeyNCVJIDUDQRVFRC-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.45
Rot. Bonds6

About 5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine

5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine (PubChem CID 115749945) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine
PubChem CID115749945
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine
SMILESCOCCCCNc1ncc(F)cn1
InChIInChI=1S/C9H14FN3O/c1-14-5-3-2-4-11-9-12-6-8(10)7-13-9/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeyNCVJIDUDQRVFRC-UHFFFAOYSA-N
XLogP1.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-octylpyrimidin-2-amine
CID 115765356
N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115749816
5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
CID 103745831
5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-2-amine
CID 115749979
5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773233
N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251301
N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
CID 112703775
5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine
CID 115749812
5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine
CID 126990894
5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine
CID 80813067
N-(2,2-dimethoxyethyl)-5-fluoropyrimidin-2-amine
CID 107389783
3-bromo-4-fluoro-N-(4-methoxybutyl)aniline
CID 115776909

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine (CID 115749945) is 5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine is COCCCCNc1ncc(F)cn1.
What is the InChIKey of 5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine?
The InChIKey is NCVJIDUDQRVFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-14-5-3-2-4-11-9-12-6-8(10)7-13-9/h6-7H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine?
5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine has a molecular weight of 199.23 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine is sourced from PubChem (CID 115749945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).