2-[4-[ethyl(oxolan-2-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol

C25H32N6O3 — CID 46199741

IUPAC2-[4-[ethyl(oxolan-2-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol
SMILESCCN(CC1CCCO1)c1nc(Nc2ccc(-c3cnco3)cc2)nc2c1CN(CCO)CC2
InChIInChI=1S/C25H32N6O3/c1-2-31(15-20-4-3-13-33-20)24-21-16-30(11-12-32)10-9-22(21)28-25(29-24)27-19-7-5-18(6-8-19)23-14-26-17-34-23/h5-8,14,17,20,32H,2-4,9-13,15-16H2,1H3,(H,27,28,29)
InChIKeyBJHHLYJBGNTFSV-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.23
Rot. Bonds9

About 2-[4-[ethyl(oxolan-2-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol

2-[4-[ethyl(oxolan-2-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol (PubChem CID 46199741) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-[4-[ethyl(oxolan-2-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol.

Molecular Properties

Compound Name2-[4-[ethyl(oxolan-2-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol
PubChem CID46199741
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC Name2-[4-[ethyl(oxolan-2-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol
SMILESCCN(CC1CCCO1)c1nc(Nc2ccc(-c3cnco3)cc2)nc2c1CN(CCO)CC2
InChIInChI=1S/C25H32N6O3/c1-2-31(15-20-4-3-13-33-20)24-21-16-30(11-12-32)10-9-22(21)28-25(29-24)27-19-7-5-18(6-8-19)23-14-26-17-34-23/h5-8,14,17,20,32H,2-4,9-13,15-16H2,1H3,(H,27,28,29)
InChIKeyBJHHLYJBGNTFSV-UHFFFAOYSA-N
XLogP3.23
TPSA99.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[ethyl(oxolan-2-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethyl(oxolan-2-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol?
The IUPAC name of 2-[4-[ethyl(oxolan-2-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol (CID 46199741) is 2-[4-[ethyl(oxolan-2-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol.
What is the SMILES notation for 2-[4-[ethyl(oxolan-2-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol?
The canonical SMILES for 2-[4-[ethyl(oxolan-2-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol is CCN(CC1CCCO1)c1nc(Nc2ccc(-c3cnco3)cc2)nc2c1CN(CCO)CC2.
What is the InChIKey of 2-[4-[ethyl(oxolan-2-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol?
The InChIKey is BJHHLYJBGNTFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-2-31(15-20-4-3-13-33-20)24-21-16-30(11-12-32)10-9-22(21)28-25(29-24)27-19-7-5-18(6-8-19)23-14-26-17-34-23/h5-8,14,17,20,32H,2-4,9-13,15-16H2,1H3,(H,27,28,29).
What are the key properties of 2-[4-[ethyl(oxolan-2-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol?
2-[4-[ethyl(oxolan-2-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol has a molecular weight of 464.57 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[ethyl(oxolan-2-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol is sourced from PubChem (CID 46199741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).