4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

C16H15N7O2 — CID 24774914

IUPAC4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(CNc2nccc(Nc3cc(-c4ccco4)[nH]n3)n2)on1
InChIInChI=1S/C16H15N7O2/c1-10-7-11(25-23-10)9-18-16-17-5-4-14(20-16)19-15-8-12(21-22-15)13-3-2-6-24-13/h2-8H,9H2,1H3,(H3,17,18,19,20,21,22)
InChIKeyYOVDYTGNGSOMSB-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.11
Rot. Bonds6

About 4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 24774914) has the molecular formula C16H15N7O2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID24774914
Molecular FormulaC16H15N7O2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(CNc2nccc(Nc3cc(-c4ccco4)[nH]n3)n2)on1
InChIInChI=1S/C16H15N7O2/c1-10-7-11(25-23-10)9-18-16-17-5-4-14(20-16)19-15-8-12(21-22-15)13-3-2-6-24-13/h2-8H,9H2,1H3,(H3,17,18,19,20,21,22)
InChIKeyYOVDYTGNGSOMSB-UHFFFAOYSA-N
XLogP3.11
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-[5-[2-(4-methoxy-2-methylphenyl)ethyl]-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 24775638
N-methyl-3-[2-[3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]ethyl]benzamide
CID 68875184
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine
CID 141196960
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 71058316
3-[[5-[[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrimidin-4-yl]amino]-1H-pyrazol-3-yl]oxymethyl]benzonitrile;hydrochloride
CID 69312485
3-[[5-[[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrimidin-4-yl]amino]-1H-pyrazol-3-yl]oxymethyl]benzonitrile
CID 24774992
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 59758109
4-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2-N-[(3-pyrimidin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 23642169
2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carbothioamide
CID 107547170
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889963
5-[[[4-[[5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 24775734
N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-pyridin-2-ylpyrazin-2-amine
CID 68526798

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 24774914) is 4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is Cc1cc(CNc2nccc(Nc3cc(-c4ccco4)[nH]n3)n2)on1.
What is the InChIKey of 4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is YOVDYTGNGSOMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2/c1-10-7-11(25-23-10)9-18-16-17-5-4-14(20-16)19-15-8-12(21-22-15)13-3-2-6-24-13/h2-8H,9H2,1H3,(H3,17,18,19,20,21,22).
What are the key properties of 4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 337.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 24774914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).