2-N-[1-(1,3-oxazol-5-yl)ethyl]-4-N-[5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine

C19H20N8O — CID 68936659

IUPAC2-N-[1-(1,3-oxazol-5-yl)ethyl]-4-N-[5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
SMILESCC(Nc1nccc(Nc2cc(CCc3cccnc3)[nH]n2)n1)c1cnco1
InChIInChI=1S/C19H20N8O/c1-13(16-11-21-12-28-16)23-19-22-8-6-17(25-19)24-18-9-15(26-27-18)5-4-14-3-2-7-20-10-14/h2-3,6-13H,4-5H2,1H3,(H3,22,23,24,25,26,27)
InChIKeyWSGHRIBTKBOUBF-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.28
Rot. Bonds8

About 2-N-[1-(1,3-oxazol-5-yl)ethyl]-4-N-[5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine

2-N-[1-(1,3-oxazol-5-yl)ethyl]-4-N-[5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine (PubChem CID 68936659) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-N-[1-(1,3-oxazol-5-yl)ethyl]-4-N-[5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(1,3-oxazol-5-yl)ethyl]-4-N-[5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
PubChem CID68936659
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name2-N-[1-(1,3-oxazol-5-yl)ethyl]-4-N-[5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
SMILESCC(Nc1nccc(Nc2cc(CCc3cccnc3)[nH]n2)n1)c1cnco1
InChIInChI=1S/C19H20N8O/c1-13(16-11-21-12-28-16)23-19-22-8-6-17(25-19)24-18-9-15(26-27-18)5-4-14-3-2-7-20-10-14/h2-3,6-13H,4-5H2,1H3,(H3,22,23,24,25,26,27)
InChIKeyWSGHRIBTKBOUBF-UHFFFAOYSA-N
XLogP3.28
TPSA117.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(1,3-oxazol-5-yl)ethyl]-4-N-[5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-(1,3-oxazol-5-yl)ethyl]-4-N-[5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine (CID 68936659) is 2-N-[1-(1,3-oxazol-5-yl)ethyl]-4-N-[5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(1,3-oxazol-5-yl)ethyl]-4-N-[5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-(1,3-oxazol-5-yl)ethyl]-4-N-[5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine is CC(Nc1nccc(Nc2cc(CCc3cccnc3)[nH]n2)n1)c1cnco1.
What is the InChIKey of 2-N-[1-(1,3-oxazol-5-yl)ethyl]-4-N-[5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine?
The InChIKey is WSGHRIBTKBOUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c1-13(16-11-21-12-28-16)23-19-22-8-6-17(25-19)24-18-9-15(26-27-18)5-4-14-3-2-7-20-10-14/h2-3,6-13H,4-5H2,1H3,(H3,22,23,24,25,26,27).
What are the key properties of 2-N-[1-(1,3-oxazol-5-yl)ethyl]-4-N-[5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine?
2-N-[1-(1,3-oxazol-5-yl)ethyl]-4-N-[5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine has a molecular weight of 376.42 g/mol, XLogP of 3.28, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(1,3-oxazol-5-yl)ethyl]-4-N-[5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 68936659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).