2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C13H21N3 — CID 114742569

IUPAC2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCCc1nc(CCC)c2c(n1)CNCC2
InChIInChI=1S/C13H21N3/c1-3-5-11-10-7-8-14-9-12(10)16-13(15-11)6-4-2/h14H,3-9H2,1-2H3
InChIKeyLCNQAKAHLZRLPF-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.03
Rot. Bonds4

About 2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742569) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742569
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCCc1nc(CCC)c2c(n1)CNCC2
InChIInChI=1S/C13H21N3/c1-3-5-11-10-7-8-14-9-12(10)16-13(15-11)6-4-2/h14H,3-9H2,1-2H3
InChIKeyLCNQAKAHLZRLPF-UHFFFAOYSA-N
XLogP2.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742724
4-ethyl-2-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740706
2-propyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 66969967
2-[(3-fluorophenyl)methyl]-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742588
2-(2,2-dimethylcyclopropyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107924851
2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742712
2-(2,6-dimethyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107504809
2-(4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742681
2-(azepan-1-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742589
2-(1-methylsulfonylethyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742746
4-methoxy-2-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115025312
4-propyl-2-(propylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741083

Frequently Asked Questions

What is the IUPAC name of 2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742569) is 2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CCCc1nc(CCC)c2c(n1)CNCC2.
What is the InChIKey of 2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is LCNQAKAHLZRLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-5-11-10-7-8-14-9-12(10)16-13(15-11)6-4-2/h14H,3-9H2,1-2H3.
What are the key properties of 2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 219.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).