N-[1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C19H26N4O2 — CID 56753060

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(C(C)Nc2ncnc3c2CCNC3)cc1OCC
InChIInChI=1S/C19H26N4O2/c1-4-24-17-7-6-14(10-18(17)25-5-2)13(3)23-19-15-8-9-20-11-16(15)21-12-22-19/h6-7,10,12-13,20H,4-5,8-9,11H2,1-3H3,(H,21,22,23)
InChIKeyWECOKFXRKXTDRX-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.09
Rot. Bonds7

About N-[1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-[1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56753060) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56753060
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(C(C)Nc2ncnc3c2CCNC3)cc1OCC
InChIInChI=1S/C19H26N4O2/c1-4-24-17-7-6-14(10-18(17)25-5-2)13(3)23-19-15-8-9-20-11-16(15)21-12-22-19/h6-7,10,12-13,20H,4-5,8-9,11H2,1-3H3,(H,21,22,23)
InChIKeyWECOKFXRKXTDRX-UHFFFAOYSA-N
XLogP3.09
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62831336
N-[1-(3,4-diethoxyphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine
CID 133370583
3-[(1S)-1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)ethyl]phenol
CID 136581264
N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101707
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide
CID 119274977
4-(2-ethoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222427
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
N-[2-(2,4-dimethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56754446
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-naphthalen-2-yl-4-oxobutanamide
CID 9092058
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705940

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56753060) is N-[1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CCOc1ccc(C(C)Nc2ncnc3c2CCNC3)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is WECOKFXRKXTDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-24-17-7-6-14(10-18(17)25-5-2)13(3)23-19-15-8-9-20-11-16(15)21-12-22-19/h6-7,10,12-13,20H,4-5,8-9,11H2,1-3H3,(H,21,22,23).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 342.44 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56753060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).