1-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propan-2-ol

C16H28N4O — CID 143422478

IUPAC1-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
SMILESCCC(CC)CN1CCc2c(ncnc2NCC(C)O)C1
InChIInChI=1S/C16H28N4O/c1-4-13(5-2)9-20-7-6-14-15(10-20)18-11-19-16(14)17-8-12(3)21/h11-13,21H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyIFPKEILIWCBLBF-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.06
Rot. Bonds7

About 1-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propan-2-ol

1-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 143422478) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
PubChem CID143422478
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
SMILESCCC(CC)CN1CCc2c(ncnc2NCC(C)O)C1
InChIInChI=1S/C16H28N4O/c1-4-13(5-2)9-20-7-6-14-15(10-20)18-11-19-16(14)17-8-12(3)21/h11-13,21H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyIFPKEILIWCBLBF-UHFFFAOYSA-N
XLogP2.06
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propan-2-ol with MolForge

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Related Compounds

2-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1-(3-tricyclo[3.3.1.03,9]nonanyl)ethanol
CID 71206457
1-(1-adamantyl)-2-[(7-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 59160436
N-(2-methyl-3-piperidin-1-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832802
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051
1-pyrrolidin-1-yl-3-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)propan-2-ol
CID 56902636
1-(1-adamantyl)-2-[[7-[(3,4-dimethylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 59160049
1-[4-[[(2S)-3-ethoxy-2-hydroxypropyl]amino]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanone
CID 95873515
4-(4-butan-2-ylpiperazin-1-yl)-7-(2-methylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 143595224
1-[4-[[2-(1-adamantyl)-2-hydroxyethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2,3-dimethylbutan-1-one
CID 68540402
1-(1-adamantyl)-2-[[7-[(2,4-dichlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 59160447
N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 83833878
1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol
CID 80906559

Frequently Asked Questions

What is the IUPAC name of 1-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propan-2-ol (CID 143422478) is 1-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propan-2-ol is CCC(CC)CN1CCc2c(ncnc2NCC(C)O)C1.
What is the InChIKey of 1-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is IFPKEILIWCBLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-13(5-2)9-20-7-6-14-15(10-20)18-11-19-16(14)17-8-12(3)21/h11-13,21H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 1-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propan-2-ol?
1-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 292.43 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 143422478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).