4-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-1-propan-2-yl-2H-pyrimidin-2-amine

C19H23N5O — CID 141237010

IUPAC4-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-1-propan-2-yl-2H-pyrimidin-2-amine
SMILESCC(C)N1C=CC(c2c(-c3ccccc3)nn3c2COCC3)=NC1N
InChIInChI=1S/C19H23N5O/c1-13(2)23-9-8-15(21-19(23)20)17-16-12-25-11-10-24(16)22-18(17)14-6-4-3-5-7-14/h3-9,13,19H,10-12,20H2,1-2H3
InChIKeyWBAQPQDHPQGNCP-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.35
Rot. Bonds3

About 4-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-1-propan-2-yl-2H-pyrimidin-2-amine

4-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-1-propan-2-yl-2H-pyrimidin-2-amine (PubChem CID 141237010) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-1-propan-2-yl-2H-pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-1-propan-2-yl-2H-pyrimidin-2-amine
PubChem CID141237010
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-1-propan-2-yl-2H-pyrimidin-2-amine
SMILESCC(C)N1C=CC(c2c(-c3ccccc3)nn3c2COCC3)=NC1N
InChIInChI=1S/C19H23N5O/c1-13(2)23-9-8-15(21-19(23)20)17-16-12-25-11-10-24(16)22-18(17)14-6-4-3-5-7-14/h3-9,13,19H,10-12,20H2,1-2H3
InChIKeyWBAQPQDHPQGNCP-UHFFFAOYSA-N
XLogP2.35
TPSA68.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-1-propan-2-yl-2H-pyrimidin-2-amine?
The IUPAC name of 4-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-1-propan-2-yl-2H-pyrimidin-2-amine (CID 141237010) is 4-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-1-propan-2-yl-2H-pyrimidin-2-amine.
What is the SMILES notation for 4-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-1-propan-2-yl-2H-pyrimidin-2-amine?
The canonical SMILES for 4-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-1-propan-2-yl-2H-pyrimidin-2-amine is CC(C)N1C=CC(c2c(-c3ccccc3)nn3c2COCC3)=NC1N.
What is the InChIKey of 4-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-1-propan-2-yl-2H-pyrimidin-2-amine?
The InChIKey is WBAQPQDHPQGNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13(2)23-9-8-15(21-19(23)20)17-16-12-25-11-10-24(16)22-18(17)14-6-4-3-5-7-14/h3-9,13,19H,10-12,20H2,1-2H3.
What are the key properties of 4-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-1-propan-2-yl-2H-pyrimidin-2-amine?
4-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-1-propan-2-yl-2H-pyrimidin-2-amine has a molecular weight of 337.43 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-1-propan-2-yl-2H-pyrimidin-2-amine is sourced from PubChem (CID 141237010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).