2-propyl-1,4-dihydropyrimidine

C7H12N2 — CID 91510032

IUPAC2-propyl-1,4-dihydropyrimidine
SMILESCCCC1=NCC=CN1
InChIInChI=1S/C7H12N2/c1-2-4-7-8-5-3-6-9-7/h3,5H,2,4,6H2,1H3,(H,8,9)
InChIKeySUJLZYURCBBVTM-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.30
Rot. Bonds2

About 2-propyl-1,4-dihydropyrimidine

2-propyl-1,4-dihydropyrimidine (PubChem CID 91510032) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-propyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-propyl-1,4-dihydropyrimidine
PubChem CID91510032
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-propyl-1,4-dihydropyrimidine
SMILESCCCC1=NCC=CN1
InChIInChI=1S/C7H12N2/c1-2-4-7-8-5-3-6-9-7/h3,5H,2,4,6H2,1H3,(H,8,9)
InChIKeySUJLZYURCBBVTM-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-fluoro-2-methyl-1H-pyrimidin-4-amine
CID 176199382
2-Methyl-1,4-dihydropyrimidine
CID 13432429
2-Tert-butyl-1,4-dihydropyrimidine
CID 20635952
carbanide;N-methyl-2H-pyrimidin-2-id-4-amine;vanadium(2+)
CID 20644795
3-(3-methyl-4H-pyrimidin-2-yl)propan-1-amine
CID 54100951
2-Methyl-1H-1,3-diazepine
CID 56992381
2-(1,4-dihydropyrimidin-2-yl)-N,N-dimethylethanamine
CID 67598333
2-Ethyl-1,4-dihydropyrimidine
CID 69423963
3-deuterio-2-ethenyl-4H-pyrimidine
CID 87130852
N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 87171545
2-Ethyl-1-oxido-1,6-dihydropyrimidin-1-ium
CID 88720683
(Z)-3-amino-N-ethenyl-N'-methylprop-2-enimidamide
CID 89191764

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,4-dihydropyrimidine?
The IUPAC name of 2-propyl-1,4-dihydropyrimidine (CID 91510032) is 2-propyl-1,4-dihydropyrimidine.
What is the SMILES notation for 2-propyl-1,4-dihydropyrimidine?
The canonical SMILES for 2-propyl-1,4-dihydropyrimidine is CCCC1=NCC=CN1.
What is the InChIKey of 2-propyl-1,4-dihydropyrimidine?
The InChIKey is SUJLZYURCBBVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-4-7-8-5-3-6-9-7/h3,5H,2,4,6H2,1H3,(H,8,9).
What are the key properties of 2-propyl-1,4-dihydropyrimidine?
2-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 2-propyl-1,4-dihydropyrimidine is sourced from PubChem (CID 91510032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).