2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine

C14H13Cl2N3O — CID 80966664

IUPAC2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2cc(Cl)cc(Cl)c2)nc(C2CC2)n1
InChIInChI=1S/C14H13Cl2N3O/c1-17-12-7-13(19-14(18-12)8-2-3-8)20-11-5-9(15)4-10(16)6-11/h4-8H,2-3H2,1H3,(H,17,18,19)
InChIKeyLOVLINGCHXACSL-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.49
Rot. Bonds4

About 2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine

2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine (PubChem CID 80966664) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine
PubChem CID80966664
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2cc(Cl)cc(Cl)c2)nc(C2CC2)n1
InChIInChI=1S/C14H13Cl2N3O/c1-17-12-7-13(19-14(18-12)8-2-3-8)20-11-5-9(15)4-10(16)6-11/h4-8H,2-3H2,1H3,(H,17,18,19)
InChIKeyLOVLINGCHXACSL-UHFFFAOYSA-N
XLogP4.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80963096
2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80965855
6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80965887
6-(3,5-dichlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774251
2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine
CID 80966422
6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 116691215
3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80965882
2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80965780
[6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropylpyrimidin-4-yl]hydrazine
CID 80969541
6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80966029
2-cyclopropyl-6-(2,5-dimethylpyrazol-3-yl)oxy-N-methylpyrimidin-4-amine
CID 81345791
2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine
CID 102989022

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine (CID 80966664) is 2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine is CNc1cc(Oc2cc(Cl)cc(Cl)c2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine?
The InChIKey is LOVLINGCHXACSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-17-12-7-13(19-14(18-12)8-2-3-8)20-11-5-9(15)4-10(16)6-11/h4-8H,2-3H2,1H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine?
2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine has a molecular weight of 310.18 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80966664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).