2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine

C18H27FN6 — CID 91800715

IUPAC2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine
SMILESCCc1nn(-c2ncc(F)c(NC(C)C)n2)c(N)c1C1CCCCC1
InChIInChI=1S/C18H27FN6/c1-4-14-15(12-8-6-5-7-9-12)16(20)25(24-14)18-21-10-13(19)17(23-18)22-11(2)3/h10-12H,4-9,20H2,1-3H3,(H,21,22,23)
InChIKeyDUGNOUFOEKVBOO-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.81
Rot. Bonds5

About 2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine

2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine (PubChem CID 91800715) has the molecular formula C18H27FN6 and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine
PubChem CID91800715
Molecular FormulaC18H27FN6
Molecular Weight346.45 g/mol
Exact Mass346.23
IUPAC Name2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine
SMILESCCc1nn(-c2ncc(F)c(NC(C)C)n2)c(N)c1C1CCCCC1
InChIInChI=1S/C18H27FN6/c1-4-14-15(12-8-6-5-7-9-12)16(20)25(24-14)18-21-10-13(19)17(23-18)22-11(2)3/h10-12H,4-9,20H2,1-3H3,(H,21,22,23)
InChIKeyDUGNOUFOEKVBOO-UHFFFAOYSA-N
XLogP3.81
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Casein Kinase inhibitor A86
CID 134812748
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
N-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 70681768
US9932325, Example 152
CID 132244721
US9932325, Example 164
CID 132244729
(11R)-4,6,11-trimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene
CID 170396789
(11S)-4,6,11-trimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene
CID 170396791
(11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene
CID 170397322
(11S)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene
CID 170591919
[4-[[4-[5-(Cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]azanium
CID 137349685
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 71836275
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-piperidyl}amine
CID 71836276

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine (CID 91800715) is 2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine is CCc1nn(-c2ncc(F)c(NC(C)C)n2)c(N)c1C1CCCCC1.
What is the InChIKey of 2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is DUGNOUFOEKVBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN6/c1-4-14-15(12-8-6-5-7-9-12)16(20)25(24-14)18-21-10-13(19)17(23-18)22-11(2)3/h10-12H,4-9,20H2,1-3H3,(H,21,22,23).
What are the key properties of 2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine?
2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 346.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 91800715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).