6-ethyl-5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine

C16H22FN5O — CID 128976993

IUPAC6-ethyl-5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine
SMILESCCc1ncnc(N[C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1F
InChIInChI=1S/C16H22FN5O/c1-4-11-14(17)16(19-9-18-11)21-12-6-8-23-15(12)13-5-7-20-22(13)10(2)3/h5,7,9-10,12,15H,4,6,8H2,1-3H3,(H,18,19,21)/t12-,15-/m0/s1
InChIKeyQCSRKDHGTUIFQT-WFASDCNBSA-N
MW319.38 g/mol
LogP2.90
Rot. Bonds5

About 6-ethyl-5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine (PubChem CID 128976993) has the molecular formula C16H22FN5O and a molecular weight of 319.38 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine
PubChem CID128976993
Molecular FormulaC16H22FN5O
Molecular Weight319.38 g/mol
Exact Mass319.18
IUPAC Name6-ethyl-5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine
SMILESCCc1ncnc(N[C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1F
InChIInChI=1S/C16H22FN5O/c1-4-11-14(17)16(19-9-18-11)21-12-6-8-23-15(12)13-5-7-20-22(13)10(2)3/h5,7,9-10,12,15H,4,6,8H2,1-3H3,(H,18,19,21)/t12-,15-/m0/s1
InChIKeyQCSRKDHGTUIFQT-WFASDCNBSA-N
XLogP2.90
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine with MolForge

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Related Compounds

US9932325, Example 186
CID 132244744
5-fluoro-2,6-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]pyrimidin-4-amine
CID 128565528
1-[(2S,3S)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)urea
CID 164631099
3-Fluoro-4-propan-2-yloxy-6-[6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyrimidine-4-carboximidoyl]cyclohex-2-en-1-imine
CID 123949814
2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 132206735
N-(4,4-difluorocyclohexyl)-6-(1-methoxyethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 132206796
N-(4,4-difluorocyclohexyl)-4-(1-methoxyethyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine
CID 132206985
N-(4,4-difluorocyclohexyl)-4-[3-(1,1-difluoroprop-2-enyl)pyrazol-1-yl]-6-(1-methoxyethyl)pyrimidin-2-amine
CID 132206994
2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-(1-methoxyethyl)pyrimidin-4-amine
CID 132207349
N-(4,4-difluorocyclohexyl)-6-(1-ethoxyethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 132207682
4-N-ethyl-2-N-[1-methyl-3-[(2R)-2-methyloxolan-2-yl]pyrazol-5-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 132244835
4-N-ethyl-2-N-[1-methyl-3-[(2S)-2-methyloxolan-2-yl]pyrazol-5-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 132244836

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine (CID 128976993) is 6-ethyl-5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine is CCc1ncnc(N[C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is QCSRKDHGTUIFQT-WFASDCNBSA-N. The full InChI is InChI=1S/C16H22FN5O/c1-4-11-14(17)16(19-9-18-11)21-12-6-8-23-15(12)13-5-7-20-22(13)10(2)3/h5,7,9-10,12,15H,4,6,8H2,1-3H3,(H,18,19,21)/t12-,15-/m0/s1.
What are the key properties of 6-ethyl-5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 319.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 128976993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).