2-[4-(dipropylamino)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]oxyethanol

C22H28N4O2 — CID 70989316

IUPAC2-[4-(dipropylamino)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]oxyethanol
SMILESCCCN(CCC)c1nc(OCCO)nc2ccc(-c3cccc(C)c3)nc12
InChIInChI=1S/C22H28N4O2/c1-4-11-26(12-5-2)21-20-19(24-22(25-21)28-14-13-27)10-9-18(23-20)17-8-6-7-16(3)15-17/h6-10,15,27H,4-5,11-14H2,1-3H3
InChIKeyVEHDNEDBNYPUOE-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.00
Rot. Bonds9

About 2-[4-(dipropylamino)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]oxyethanol

2-[4-(dipropylamino)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]oxyethanol (PubChem CID 70989316) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[4-(dipropylamino)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[4-(dipropylamino)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]oxyethanol
PubChem CID70989316
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-[4-(dipropylamino)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]oxyethanol
SMILESCCCN(CCC)c1nc(OCCO)nc2ccc(-c3cccc(C)c3)nc12
InChIInChI=1S/C22H28N4O2/c1-4-11-26(12-5-2)21-20-19(24-22(25-21)28-14-13-27)10-9-18(23-20)17-8-6-7-16(3)15-17/h6-10,15,27H,4-5,11-14H2,1-3H3
InChIKeyVEHDNEDBNYPUOE-UHFFFAOYSA-N
XLogP4.00
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dipropylamino)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]oxyethanol?
The IUPAC name of 2-[4-(dipropylamino)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]oxyethanol (CID 70989316) is 2-[4-(dipropylamino)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]oxyethanol.
What is the SMILES notation for 2-[4-(dipropylamino)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]oxyethanol?
The canonical SMILES for 2-[4-(dipropylamino)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]oxyethanol is CCCN(CCC)c1nc(OCCO)nc2ccc(-c3cccc(C)c3)nc12.
What is the InChIKey of 2-[4-(dipropylamino)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]oxyethanol?
The InChIKey is VEHDNEDBNYPUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-4-11-26(12-5-2)21-20-19(24-22(25-21)28-14-13-27)10-9-18(23-20)17-8-6-7-16(3)15-17/h6-10,15,27H,4-5,11-14H2,1-3H3.
What are the key properties of 2-[4-(dipropylamino)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]oxyethanol?
2-[4-(dipropylamino)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]oxyethanol has a molecular weight of 380.49 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dipropylamino)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]oxyethanol is sourced from PubChem (CID 70989316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).