N-(2-butoxy-5-fluorocyclohexyl)pyrimidin-4-amine

C14H22FN3O — CID 174668804

IUPACN-(2-butoxy-5-fluorocyclohexyl)pyrimidin-4-amine
SMILESCCCCOC1CCC(F)CC1Nc1ccncn1
InChIInChI=1S/C14H22FN3O/c1-2-3-8-19-13-5-4-11(15)9-12(13)18-14-6-7-16-10-17-14/h6-7,10-13H,2-5,8-9H2,1H3,(H,16,17,18)
InChIKeyAWGSBWWMSZFIAT-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.96
Rot. Bonds6

About N-(2-butoxy-5-fluorocyclohexyl)pyrimidin-4-amine

N-(2-butoxy-5-fluorocyclohexyl)pyrimidin-4-amine (PubChem CID 174668804) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(2-butoxy-5-fluorocyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-butoxy-5-fluorocyclohexyl)pyrimidin-4-amine
PubChem CID174668804
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC NameN-(2-butoxy-5-fluorocyclohexyl)pyrimidin-4-amine
SMILESCCCCOC1CCC(F)CC1Nc1ccncn1
InChIInChI=1S/C14H22FN3O/c1-2-3-8-19-13-5-4-11(15)9-12(13)18-14-6-7-16-10-17-14/h6-7,10-13H,2-5,8-9H2,1H3,(H,16,17,18)
InChIKeyAWGSBWWMSZFIAT-UHFFFAOYSA-N
XLogP2.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.96
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

4-[[2-(Butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793604
N~4~-ethyl-N~2~-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
CID 50969566
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 71981393
4-N-(4-methoxycyclohexyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 75422023
2-chloro-N-((tetrahydrofuran-2-yl)methyl)pyrimidin-4-amine
CID 4778956
2-butoxy-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 151901268
rac-(3R,4R)-N3-(pyrimidin-4-yl)oxane-3,4-diamine dihydrochloride
CID 132398603
rac-(3R,4R)-N3-(2-methylpyrimidin-4-yl)oxane-3,4-diamine dihydrochloride
CID 165604794
2-ethoxy-N-((1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl)acetamide
CID 91626239
3-(2-Methoxyethyl)-1-[(1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl]urea
CID 91626327
4-[2-(6-Aminohexylamino)-4-pyrimidyl]-morpholine
CID 459123
N-[(3-ethyl-4,5-dihydroisoxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50949745

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxy-5-fluorocyclohexyl)pyrimidin-4-amine?
The IUPAC name of N-(2-butoxy-5-fluorocyclohexyl)pyrimidin-4-amine (CID 174668804) is N-(2-butoxy-5-fluorocyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-butoxy-5-fluorocyclohexyl)pyrimidin-4-amine?
The canonical SMILES for N-(2-butoxy-5-fluorocyclohexyl)pyrimidin-4-amine is CCCCOC1CCC(F)CC1Nc1ccncn1.
What is the InChIKey of N-(2-butoxy-5-fluorocyclohexyl)pyrimidin-4-amine?
The InChIKey is AWGSBWWMSZFIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-2-3-8-19-13-5-4-11(15)9-12(13)18-14-6-7-16-10-17-14/h6-7,10-13H,2-5,8-9H2,1H3,(H,16,17,18).
What are the key properties of N-(2-butoxy-5-fluorocyclohexyl)pyrimidin-4-amine?
N-(2-butoxy-5-fluorocyclohexyl)pyrimidin-4-amine has a molecular weight of 267.35 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxy-5-fluorocyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 174668804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).