4,6-dichloro-5-propan-2-yloxypyrimidin-2-amine

C7H9Cl2N3O — CID 163243179

IUPAC4,6-dichloro-5-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C7H9Cl2N3O/c1-3(2)13-4-5(8)11-7(10)12-6(4)9/h3H,1-2H3,(H2,10,11,12)
InChIKeyUZFQUTVHWXANKG-UHFFFAOYSA-N
MW222.07 g/mol
LogP2.15
Rot. Bonds2

About 4,6-dichloro-5-propan-2-yloxypyrimidin-2-amine

4,6-dichloro-5-propan-2-yloxypyrimidin-2-amine (PubChem CID 163243179) has the molecular formula C7H9Cl2N3O and a molecular weight of 222.07 g/mol. Its IUPAC name is 4,6-dichloro-5-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-5-propan-2-yloxypyrimidin-2-amine
PubChem CID163243179
Molecular FormulaC7H9Cl2N3O
Molecular Weight222.07 g/mol
Exact Mass221.01
IUPAC Name4,6-dichloro-5-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C7H9Cl2N3O/c1-3(2)13-4-5(8)11-7(10)12-6(4)9/h3H,1-2H3,(H2,10,11,12)
InChIKeyUZFQUTVHWXANKG-UHFFFAOYSA-N
XLogP2.15
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-propan-2-yloxypyrimidin-2-amine
CID 80859950
4-chloro-8-methylquinazolin-2-amine
CID 10035504
6-chloro-5-methoxy-2-propan-2-ylpyrimidin-4-amine
CID 166128960
4-chloro-6-propan-2-yloxypyrimidin-5-amine
CID 23477591
6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80755806
3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline
CID 82266805
5-chloro-3-methylpyrimido[4,5-c]pyridazin-7-amine
CID 82399913
4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine
CID 83240232
7-chloro-2-methyl-8-propan-2-yloxy-1,6-naphthyridine
CID 59256548
2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline
CID 86152824
4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine
CID 86004376
4,6-dichloro-2-propan-2-yloxypyrimidine
CID 75132209

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-5-propan-2-yloxypyrimidin-2-amine (CID 163243179) is 4,6-dichloro-5-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-5-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-5-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1c(Cl)nc(N)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-propan-2-yloxypyrimidin-2-amine?
The InChIKey is UZFQUTVHWXANKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3O/c1-3(2)13-4-5(8)11-7(10)12-6(4)9/h3H,1-2H3,(H2,10,11,12).
What are the key properties of 4,6-dichloro-5-propan-2-yloxypyrimidin-2-amine?
4,6-dichloro-5-propan-2-yloxypyrimidin-2-amine has a molecular weight of 222.07 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 163243179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).