2-(2-ethoxybutan-2-yl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C16H27N3O — CID 114739564

IUPAC2-(2-ethoxybutan-2-yl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCCc1nc(C(C)(CC)OCC)nc2c1CNCC2
InChIInChI=1S/C16H27N3O/c1-5-8-13-12-11-17-10-9-14(12)19-15(18-13)16(4,6-2)20-7-3/h17H,5-11H2,1-4H3
InChIKeyLYMXXORLONGQCS-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.74
Rot. Bonds6

About 2-(2-ethoxybutan-2-yl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-(2-ethoxybutan-2-yl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114739564) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(2-ethoxybutan-2-yl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(2-ethoxybutan-2-yl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114739564
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(2-ethoxybutan-2-yl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCCc1nc(C(C)(CC)OCC)nc2c1CNCC2
InChIInChI=1S/C16H27N3O/c1-5-8-13-12-11-17-10-9-14(12)19-15(18-13)16(4,6-2)20-7-3/h17H,5-11H2,1-4H3
InChIKeyLYMXXORLONGQCS-UHFFFAOYSA-N
XLogP2.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxybutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737735
2-(2-ethoxypropan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737893
2-(3-ethoxypentan-3-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737863
2-(2-methoxypropan-2-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741173
2-(2-ethoxybutan-2-yl)-5-iodo-6-propylpyrimidin-4-amine
CID 116776658
2-(2-ethoxybutan-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 116776679
2-(1-methoxy-2-methylpropyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739405
2-(2-methylpropylsulfanylmethyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739489
2-(2-ethoxybutan-2-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione
CID 106482676
2-(1-methylsulfonylethyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739562
2-(3,4-dichlorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739556
2-(2-ethoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116777338

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxybutan-2-yl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(2-ethoxybutan-2-yl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114739564) is 2-(2-ethoxybutan-2-yl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(2-ethoxybutan-2-yl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(2-ethoxybutan-2-yl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCCc1nc(C(C)(CC)OCC)nc2c1CNCC2.
What is the InChIKey of 2-(2-ethoxybutan-2-yl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is LYMXXORLONGQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-8-13-12-11-17-10-9-14(12)19-15(18-13)16(4,6-2)20-7-3/h17H,5-11H2,1-4H3.
What are the key properties of 2-(2-ethoxybutan-2-yl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(2-ethoxybutan-2-yl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 277.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxybutan-2-yl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114739564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).