2-(2-methoxypropyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C12H19N3O — CID 114742173

IUPAC2-(2-methoxypropyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCOC(C)Cc1nc(C)c2c(n1)CNCC2
InChIInChI=1S/C12H19N3O/c1-8(16-3)6-12-14-9(2)10-4-5-13-7-11(10)15-12/h8,13H,4-7H2,1-3H3
InChIKeySYZXOZMKJQHBKD-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.01
Rot. Bonds3

About 2-(2-methoxypropyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

2-(2-methoxypropyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742173) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2-methoxypropyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(2-methoxypropyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742173
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(2-methoxypropyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCOC(C)Cc1nc(C)c2c(n1)CNCC2
InChIInChI=1S/C12H19N3O/c1-8(16-3)6-12-14-9(2)10-4-5-13-7-11(10)15-12/h8,13H,4-7H2,1-3H3
InChIKeySYZXOZMKJQHBKD-UHFFFAOYSA-N
XLogP1.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxypropyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740071
4-methyl-2-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740210
4-methyl-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742125
4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 112703747
2-(4-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742252
2-ethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 105447306
2-[(2,4-difluorophenyl)methyl]-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742194
2-(3-methoxypropyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740001
2-(1-methoxyethyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742924
4-methyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742289
2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742569
2-(2-methylpropyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741386

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(2-methoxypropyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742173) is 2-(2-methoxypropyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(2-methoxypropyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(2-methoxypropyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is COC(C)Cc1nc(C)c2c(n1)CNCC2.
What is the InChIKey of 2-(2-methoxypropyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is SYZXOZMKJQHBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(16-3)6-12-14-9(2)10-4-5-13-7-11(10)15-12/h8,13H,4-7H2,1-3H3.
What are the key properties of 2-(2-methoxypropyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-(2-methoxypropyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 221.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).