4-propylpyrimidine

C7H10N2 — CID 18996562

IUPAC4-propylpyrimidine
SMILESCCCc1ccncn1
InChIInChI=1S/C7H10N2/c1-2-3-7-4-5-8-6-9-7/h4-6H,2-3H2,1H3
InChIKeyPLKFCWYWRJDCLF-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.43
Rot. Bonds2

About 4-propylpyrimidine

4-propylpyrimidine (PubChem CID 18996562) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4-propylpyrimidine.

Molecular Properties

Compound Name4-propylpyrimidine
PubChem CID18996562
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4-propylpyrimidine
SMILESCCCc1ccncn1
InChIInChI=1S/C7H10N2/c1-2-3-7-4-5-8-6-9-7/h4-6H,2-3H2,1H3
InChIKeyPLKFCWYWRJDCLF-UHFFFAOYSA-N
XLogP1.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;pyrimidin-4-ylmethanamine
CID 90939628
4-(7-bromoheptyl)pyrimidine
CID 171785163
2-dodecyl-2-(5-pyrimidin-4-ylpentyl)propanedioic acid
CID 139782884
4,4-dimethyl-1-pyrimidin-4-ylpentan-3-one
CID 158821572
N-(2-methoxyethyl)-2-pyrimidin-4-ylethanamine
CID 64867710
4-(2-bromobutyl)pyrimidine
CID 63203531
N-(2-pyrimidin-4-ylethyl)formamide
CID 57044040
N-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine
CID 63198618
2-pyrimidin-4-ylacetonitrile
CID 14169572
4-(diethoxyphosphorylmethyl)pyrimidine
CID 166731479
methyl 6-pyrimidin-4-ylhexanoate
CID 155251569
azane;2,4-dipropylpyrimidine
CID 174500974

Frequently Asked Questions

What is the IUPAC name of 4-propylpyrimidine?
The IUPAC name of 4-propylpyrimidine (CID 18996562) is 4-propylpyrimidine.
What is the SMILES notation for 4-propylpyrimidine?
The canonical SMILES for 4-propylpyrimidine is CCCc1ccncn1.
What is the InChIKey of 4-propylpyrimidine?
The InChIKey is PLKFCWYWRJDCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-3-7-4-5-8-6-9-7/h4-6H,2-3H2,1H3.
What are the key properties of 4-propylpyrimidine?
4-propylpyrimidine has a molecular weight of 122.17 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylpyrimidine is sourced from PubChem (CID 18996562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).