4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine

C16H20ClN3O — CID 80974467

IUPAC4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine
SMILESCCCc1nc(Cl)c(C)c(OCCCc2ccncc2)n1
InChIInChI=1S/C16H20ClN3O/c1-3-5-14-19-15(17)12(2)16(20-14)21-11-4-6-13-7-9-18-10-8-13/h7-10H,3-6,11H2,1-2H3
InChIKeyDPHBVKQGEDGIHS-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.80
Rot. Bonds7

About 4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine

4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine (PubChem CID 80974467) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine
PubChem CID80974467
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine
SMILESCCCc1nc(Cl)c(C)c(OCCCc2ccncc2)n1
InChIInChI=1S/C16H20ClN3O/c1-3-5-14-19-15(17)12(2)16(20-14)21-11-4-6-13-7-9-18-10-8-13/h7-10H,3-6,11H2,1-2H3
InChIKeyDPHBVKQGEDGIHS-UHFFFAOYSA-N
XLogP3.80
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidine
CID 55229088
4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine
CID 112587573
4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine
CID 80973551
2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine
CID 80865296
4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine
CID 80973302
4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine
CID 80972729
4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine
CID 80973545
4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 80972973
6-butoxy-5-methyl-2-propylpyrimidin-4-amine
CID 80989223
3-(chloromethyl)-4,6-dimethyl-2-(3-pyridin-4-ylpropoxy)pyridine
CID 61269144
6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988067
4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine
CID 107169178

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine (CID 80974467) is 4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine is CCCc1nc(Cl)c(C)c(OCCCc2ccncc2)n1.
What is the InChIKey of 4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine?
The InChIKey is DPHBVKQGEDGIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-5-14-19-15(17)12(2)16(20-14)21-11-4-6-13-7-9-18-10-8-13/h7-10H,3-6,11H2,1-2H3.
What are the key properties of 4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine?
4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine has a molecular weight of 305.81 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine is sourced from PubChem (CID 80974467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).