4-propoxypyrimidine

C7H10N2O — CID 23198177

IUPAC4-propoxypyrimidine
SMILESCCCOc1ccncn1
InChIInChI=1S/C7H10N2O/c1-2-5-10-7-3-4-8-6-9-7/h3-4,6H,2,5H2,1H3
InChIKeyNPNINVURESZUEE-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.27
Rot. Bonds3

About 4-propoxypyrimidine

4-propoxypyrimidine (PubChem CID 23198177) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-propoxypyrimidine.

Molecular Properties

Compound Name4-propoxypyrimidine
PubChem CID23198177
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name4-propoxypyrimidine
SMILESCCCOc1ccncn1
InChIInChI=1S/C7H10N2O/c1-2-5-10-7-3-4-8-6-9-7/h3-4,6H,2,5H2,1H3
InChIKeyNPNINVURESZUEE-UHFFFAOYSA-N
XLogP1.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine
CID 123632919
4-pent-2-ynoxypyrimidine
CID 91219965
4-propoxypyrimidin-2-amine
CID 79002172
4-[(4-methoxyphenyl)methoxy]pyrimidine
CID 162347071
4-(2,3,5,6-tetrapropoxy-4-pyridin-4-ylphenyl)pyridine
CID 102441493
4-propylpyrimidine
CID 18996562
3-ethoxy-6-propoxypyridazine
CID 163526291
2-(4-propoxypyrimidin-2-yl)acetic acid
CID 104571285
4-iodo-2-propoxypyridine
CID 66614410
2-(2-propoxypyrimidin-4-yl)oxyethanol
CID 68639472
N,N-dimethyl-3-(pyrimidin-4-yloxymethyl)pyridin-2-amine
CID 117061452
sodium;hydride;pyrimidin-4-yl acetate
CID 175470054

Frequently Asked Questions

What is the IUPAC name of 4-propoxypyrimidine?
The IUPAC name of 4-propoxypyrimidine (CID 23198177) is 4-propoxypyrimidine.
What is the SMILES notation for 4-propoxypyrimidine?
The canonical SMILES for 4-propoxypyrimidine is CCCOc1ccncn1.
What is the InChIKey of 4-propoxypyrimidine?
The InChIKey is NPNINVURESZUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-5-10-7-3-4-8-6-9-7/h3-4,6H,2,5H2,1H3.
What are the key properties of 4-propoxypyrimidine?
4-propoxypyrimidine has a molecular weight of 138.17 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxypyrimidine is sourced from PubChem (CID 23198177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).