2-pentyl-1,4-dihydropyrimidine

C9H16N2 — CID 175347122

IUPAC2-pentyl-1,4-dihydropyrimidine
SMILESCCCCCC1=NCC=CN1
InChIInChI=1S/C9H16N2/c1-2-3-4-6-9-10-7-5-8-11-9/h5,7H,2-4,6,8H2,1H3,(H,10,11)
InChIKeyZAEMQBOCZGNGHD-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.08
Rot. Bonds4

About 2-pentyl-1,4-dihydropyrimidine

2-pentyl-1,4-dihydropyrimidine (PubChem CID 175347122) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-pentyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-pentyl-1,4-dihydropyrimidine
PubChem CID175347122
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-pentyl-1,4-dihydropyrimidine
SMILESCCCCCC1=NCC=CN1
InChIInChI=1S/C9H16N2/c1-2-3-4-6-9-10-7-5-8-11-9/h5,7H,2-4,6,8H2,1H3,(H,10,11)
InChIKeyZAEMQBOCZGNGHD-UHFFFAOYSA-N
XLogP2.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-nonyl-1H-1,3-diazepine
CID 91448328
2-(1,4-dihydropyrimidin-2-yl)-N,N-dimethylethanamine
CID 67598333
2-pentyl-1H-1,3-diazepine
CID 67931914
2-Ethyl-1,4-dihydropyrimidine
CID 69423963
N-ethenyl-N'-prop-1-enylbutanimidamide
CID 91047825
N-ethenyl-N'-methylhexanimidamide
CID 91275682
2-Propyl-1,4-dihydropyrimidine
CID 91510032
N-pentyl-1,3-dihydropyrrol-2-imine
CID 136470177
Ethane;2-propan-2-yl-1,4-dihydropyrimidine
CID 143121015
N-butyl-3,4-dihydro-1H-pyridin-2-imine
CID 143913747
Ethane;2-ethyl-4-methyl-1,4-dihydropyrimidine
CID 145622546
2-(2,2-Dimethylpropyl)-1,4-dihydropyrimidine
CID 155051813

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1,4-dihydropyrimidine?
The IUPAC name of 2-pentyl-1,4-dihydropyrimidine (CID 175347122) is 2-pentyl-1,4-dihydropyrimidine.
What is the SMILES notation for 2-pentyl-1,4-dihydropyrimidine?
The canonical SMILES for 2-pentyl-1,4-dihydropyrimidine is CCCCCC1=NCC=CN1.
What is the InChIKey of 2-pentyl-1,4-dihydropyrimidine?
The InChIKey is ZAEMQBOCZGNGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-3-4-6-9-10-7-5-8-11-9/h5,7H,2-4,6,8H2,1H3,(H,10,11).
What are the key properties of 2-pentyl-1,4-dihydropyrimidine?
2-pentyl-1,4-dihydropyrimidine has a molecular weight of 152.24 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1,4-dihydropyrimidine is sourced from PubChem (CID 175347122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).