6-propyl-1,4-dihydropyrimidine

C7H12N2 — CID 142130136

IUPAC6-propyl-1,4-dihydropyrimidine
SMILESCCCC1=CCN=CN1
InChIInChI=1S/C7H12N2/c1-2-3-7-4-5-8-6-9-7/h4,6H,2-3,5H2,1H3,(H,8,9)
InChIKeyJNYUDPVMNHPWOC-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.30
Rot. Bonds2

About 6-propyl-1,4-dihydropyrimidine

6-propyl-1,4-dihydropyrimidine (PubChem CID 142130136) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 6-propyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-propyl-1,4-dihydropyrimidine
PubChem CID142130136
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name6-propyl-1,4-dihydropyrimidine
SMILESCCCC1=CCN=CN1
InChIInChI=1S/C7H12N2/c1-2-3-7-4-5-8-6-9-7/h4,6H,2-3,5H2,1H3,(H,8,9)
InChIKeyJNYUDPVMNHPWOC-UHFFFAOYSA-N
XLogP1.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-Dimethyl-6-chloropyrimidine
CID 129797647
4-(1-fluoropropyl)-6-methylidene-1H-pyrimidine
CID 144606019
InChI=1/C7H12N2/c1-6-4-7(2,3)9-5-8-6/h4-5H,1-3H3,(H,8,9
CID 5324921
6-Methyl-1,4-dihydropyrimidine
CID 19748724
6-Ethyl-1,4-dihydropyrimidine
CID 19748726
6-Propylpyrimidine-4-thiol
CID 52004866
6-ethyl-1H-pyrimidine-4-thione
CID 61236035
4,6-Dimethyl-1,4-dihydropyrimidine
CID 68223411
6-Methyl-1,4-dihydropyrimidin-4-amine
CID 90454007
4,7-dimethyl-4,5-dihydro-1H-1,3-diazepine
CID 91513752
6-Propan-2-yl-1,4-dihydropyrimidine
CID 101687777
1,4,5,8-Tetrahydroquinazoline
CID 118369126

Frequently Asked Questions

What is the IUPAC name of 6-propyl-1,4-dihydropyrimidine?
The IUPAC name of 6-propyl-1,4-dihydropyrimidine (CID 142130136) is 6-propyl-1,4-dihydropyrimidine.
What is the SMILES notation for 6-propyl-1,4-dihydropyrimidine?
The canonical SMILES for 6-propyl-1,4-dihydropyrimidine is CCCC1=CCN=CN1.
What is the InChIKey of 6-propyl-1,4-dihydropyrimidine?
The InChIKey is JNYUDPVMNHPWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-3-7-4-5-8-6-9-7/h4,6H,2-3,5H2,1H3,(H,8,9).
What are the key properties of 6-propyl-1,4-dihydropyrimidine?
6-propyl-1,4-dihydropyrimidine has a molecular weight of 124.19 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-1,4-dihydropyrimidine is sourced from PubChem (CID 142130136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).