[1-[4-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol

C19H23N7O3 — CID 10309646

IUPAC[1-[4-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
SMILESCNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(N2CCCC2CO)n1
InChIInChI=1S/C19H23N7O3/c1-20-17-23-18(25-19(24-17)26-7-3-4-13(26)10-27)22-12-5-6-14(15(8-12)28-2)16-9-21-11-29-16/h5-6,8-9,11,13,27H,3-4,7,10H2,1-2H3,(H2,20,22,23,24,25)
InChIKeyFENBVYAJWRZBIW-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.28
Rot. Bonds7

About [1-[4-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol

[1-[4-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 10309646) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is [1-[4-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID10309646
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC Name[1-[4-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
SMILESCNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(N2CCCC2CO)n1
InChIInChI=1S/C19H23N7O3/c1-20-17-23-18(25-19(24-17)26-7-3-4-13(26)10-27)22-12-5-6-14(15(8-12)28-2)16-9-21-11-29-16/h5-6,8-9,11,13,27H,3-4,7,10H2,1-2H3,(H2,20,22,23,24,25)
InChIKeyFENBVYAJWRZBIW-UHFFFAOYSA-N
XLogP2.28
TPSA121.46 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol (CID 10309646) is [1-[4-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol is CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(N2CCCC2CO)n1.
What is the InChIKey of [1-[4-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is FENBVYAJWRZBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3/c1-20-17-23-18(25-19(24-17)26-7-3-4-13(26)10-27)22-12-5-6-14(15(8-12)28-2)16-9-21-11-29-16/h5-6,8-9,11,13,27H,3-4,7,10H2,1-2H3,(H2,20,22,23,24,25).
What are the key properties of [1-[4-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol?
[1-[4-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 397.44 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 10309646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).