2-(4-chloronaphthalen-1-yl)oxypyrimidin-5-amine

C14H10ClN3O — CID 61147725

IUPAC2-(4-chloronaphthalen-1-yl)oxypyrimidin-5-amine
SMILESNc1cnc(Oc2ccc(Cl)c3ccccc23)nc1
InChIInChI=1S/C14H10ClN3O/c15-12-5-6-13(11-4-2-1-3-10(11)12)19-14-17-7-9(16)8-18-14/h1-8H,16H2
InChIKeySKZIVFHPIVPRIP-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.66
Rot. Bonds2

About 2-(4-chloronaphthalen-1-yl)oxypyrimidin-5-amine

2-(4-chloronaphthalen-1-yl)oxypyrimidin-5-amine (PubChem CID 61147725) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)oxypyrimidin-5-amine.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)oxypyrimidin-5-amine
PubChem CID61147725
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name2-(4-chloronaphthalen-1-yl)oxypyrimidin-5-amine
SMILESNc1cnc(Oc2ccc(Cl)c3ccccc23)nc1
InChIInChI=1S/C14H10ClN3O/c15-12-5-6-13(11-4-2-1-3-10(11)12)19-14-17-7-9(16)8-18-14/h1-8H,16H2
InChIKeySKZIVFHPIVPRIP-UHFFFAOYSA-N
XLogP3.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine
CID 61145640
2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine
CID 79633476
5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine
CID 116525568
4-(4-chloronaphthalen-1-yl)oxy-5-iodopyrimidine
CID 66319360
5-bromo-2-(4-chloronaphthalen-1-yl)oxyaniline
CID 26190495
[4-(4-chloronaphthalen-1-yl)oxy-6-methyl-3-pyridinyl]methanamine
CID 81255368
6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde
CID 80632138
6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide
CID 43804673
1-chloro-4-methoxynaphthalene
CID 606038
[3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine
CID 62322786
4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline
CID 104606271
2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine
CID 146440815

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)oxypyrimidin-5-amine?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)oxypyrimidin-5-amine (CID 61147725) is 2-(4-chloronaphthalen-1-yl)oxypyrimidin-5-amine.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)oxypyrimidin-5-amine?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)oxypyrimidin-5-amine is Nc1cnc(Oc2ccc(Cl)c3ccccc23)nc1.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)oxypyrimidin-5-amine?
The InChIKey is SKZIVFHPIVPRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-12-5-6-13(11-4-2-1-3-10(11)12)19-14-17-7-9(16)8-18-14/h1-8H,16H2.
What are the key properties of 2-(4-chloronaphthalen-1-yl)oxypyrimidin-5-amine?
2-(4-chloronaphthalen-1-yl)oxypyrimidin-5-amine has a molecular weight of 271.71 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)oxypyrimidin-5-amine is sourced from PubChem (CID 61147725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).