5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine

C12H20ClN3O — CID 102989311

IUPAC5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(OC(C)CCC)n1
InChIInChI=1S/C12H20ClN3O/c1-4-6-9(3)17-11-10(13)8-15-12(16-11)14-7-5-2/h8-9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyAHVQQCLAAYVXDY-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.52
Rot. Bonds7

About 5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine

5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine (PubChem CID 102989311) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine
PubChem CID102989311
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(OC(C)CCC)n1
InChIInChI=1S/C12H20ClN3O/c1-4-6-9(3)17-11-10(13)8-15-12(16-11)14-7-5-2/h8-9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyAHVQQCLAAYVXDY-UHFFFAOYSA-N
XLogP3.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-propyl-4-(2,4,5-trichlorophenoxy)pyrimidin-2-amine
CID 80866668
4-pentan-2-yloxy-N-propylpyrimidin-2-amine
CID 102989423
5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80863154
5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine
CID 80865166
5-chloro-4-(4-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881106
5-chloro-4-(2-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80869484
3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine
CID 102989506
5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine
CID 80879542
5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine
CID 80858510
5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine
CID 114342894
5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine
CID 80883410
1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine
CID 102986084

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine (CID 102989311) is 5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine is CCCNc1ncc(Cl)c(OC(C)CCC)n1.
What is the InChIKey of 5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine?
The InChIKey is AHVQQCLAAYVXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-4-6-9(3)17-11-10(13)8-15-12(16-11)14-7-5-2/h8-9H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine?
5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine has a molecular weight of 257.76 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine is sourced from PubChem (CID 102989311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).