5-fluoro-N-[(1S)-1-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]ethyl]pyrimidin-2-amine

C18H20FN5 — CID 141420656

IUPAC5-fluoro-N-[(1S)-1-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]ethyl]pyrimidin-2-amine
SMILESCC(C)c1ccc(-c2cc([C@H](C)Nc3ncc(F)cn3)[nH]n2)cc1
InChIInChI=1S/C18H20FN5/c1-11(2)13-4-6-14(7-5-13)17-8-16(23-24-17)12(3)22-18-20-9-15(19)10-21-18/h4-12H,1-3H3,(H,23,24)(H,20,21,22)/t12-/m0/s1
InChIKeyOPFBANQCDQIWHA-LBPRGKRZSA-N
MW325.39 g/mol
LogP4.30
Rot. Bonds5

About 5-fluoro-N-[(1S)-1-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]ethyl]pyrimidin-2-amine

5-fluoro-N-[(1S)-1-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]ethyl]pyrimidin-2-amine (PubChem CID 141420656) has the molecular formula C18H20FN5 and a molecular weight of 325.39 g/mol. Its IUPAC name is 5-fluoro-N-[(1S)-1-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(1S)-1-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]ethyl]pyrimidin-2-amine
PubChem CID141420656
Molecular FormulaC18H20FN5
Molecular Weight325.39 g/mol
Exact Mass325.17
IUPAC Name5-fluoro-N-[(1S)-1-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]ethyl]pyrimidin-2-amine
SMILESCC(C)c1ccc(-c2cc([C@H](C)Nc3ncc(F)cn3)[nH]n2)cc1
InChIInChI=1S/C18H20FN5/c1-11(2)13-4-6-14(7-5-13)17-8-16(23-24-17)12(3)22-18-20-9-15(19)10-21-18/h4-12H,1-3H3,(H,23,24)(H,20,21,22)/t12-/m0/s1
InChIKeyOPFBANQCDQIWHA-LBPRGKRZSA-N
XLogP4.30
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-N-[(1S)-1-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]ethyl]pyrimidin-2-amine with MolForge

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Related Compounds

4-[5-[1-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol
CID 136758050
N-but-3-yn-2-yl-5-fluoropyrimidin-2-amine
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5-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]pyrimidin-2-amine
CID 97116929
5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine
CID 130713087
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
CID 171059256
bis(1-fluoro-4-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;methane
CID 158662647
4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine
CID 59538629
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine
CID 113286044
N-[1-(4-aminophenyl)ethyl]-5-iodopyrimidin-2-amine
CID 116648717
5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one
CID 170311239
1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696
N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine
CID 115750251

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1S)-1-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]ethyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(1S)-1-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]ethyl]pyrimidin-2-amine (CID 141420656) is 5-fluoro-N-[(1S)-1-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(1S)-1-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(1S)-1-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]ethyl]pyrimidin-2-amine is CC(C)c1ccc(-c2cc([C@H](C)Nc3ncc(F)cn3)[nH]n2)cc1.
What is the InChIKey of 5-fluoro-N-[(1S)-1-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]ethyl]pyrimidin-2-amine?
The InChIKey is OPFBANQCDQIWHA-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20FN5/c1-11(2)13-4-6-14(7-5-13)17-8-16(23-24-17)12(3)22-18-20-9-15(19)10-21-18/h4-12H,1-3H3,(H,23,24)(H,20,21,22)/t12-/m0/s1.
What are the key properties of 5-fluoro-N-[(1S)-1-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]ethyl]pyrimidin-2-amine?
5-fluoro-N-[(1S)-1-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]ethyl]pyrimidin-2-amine has a molecular weight of 325.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1S)-1-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 141420656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).