4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine

C20H19FN8O — CID 59757902

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccc(F)cn3)no2)n1
InChIInChI=1S/C20H19FN8O/c1-11-6-18(25-19-8-16(27-28-19)12-2-3-12)26-20(24-11)23-10-14-7-17(29-30-14)15-5-4-13(21)9-22-15/h4-9,12H,2-3,10H2,1H3,(H3,23,24,25,26,27,28)
InChIKeyWOAOFEWTOGUVIY-UHFFFAOYSA-N
MW406.43 g/mol
LogP3.93
Rot. Bonds7

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 59757902) has the molecular formula C20H19FN8O and a molecular weight of 406.43 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID59757902
Molecular FormulaC20H19FN8O
Molecular Weight406.43 g/mol
Exact Mass406.17
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccc(F)cn3)no2)n1
InChIInChI=1S/C20H19FN8O/c1-11-6-18(25-19-8-16(27-28-19)12-2-3-12)26-20(24-11)23-10-14-7-17(29-30-14)15-5-4-13(21)9-22-15/h4-9,12H,2-3,10H2,1H3,(H3,23,24,25,26,27,28)
InChIKeyWOAOFEWTOGUVIY-UHFFFAOYSA-N
XLogP3.93
TPSA117.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine with MolForge

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Related Compounds

CID 59757974
CID 59757974
CID 60154330
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CID 24774912
CID 24774912
CID 56973550
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CID 60154341
CID 60154341
CID 60154344
CID 60154344
CID 86267519
CID 86267519
CID 67284323
CID 67284323
CID 11503139
CID 11503139
CID 11503356
CID 11503356
CID 11525394
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CID 11531217
CID 11531217

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine (CID 59757902) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccc(F)cn3)no2)n1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is WOAOFEWTOGUVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN8O/c1-11-6-18(25-19-8-16(27-28-19)12-2-3-12)26-20(24-11)23-10-14-7-17(29-30-14)15-5-4-13(21)9-22-15/h4-9,12H,2-3,10H2,1H3,(H3,23,24,25,26,27,28).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 406.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 59757902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).