5-chloro-4-propan-2-yloxypyrimidin-2-amine

C7H10ClN3O — CID 80859950

IUPAC5-chloro-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1nc(N)ncc1Cl
InChIInChI=1S/C7H10ClN3O/c1-4(2)12-6-5(8)3-10-7(9)11-6/h3-4H,1-2H3,(H2,9,10,11)
InChIKeyDLUNYWFGTNXKRT-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.50
Rot. Bonds2

About 5-chloro-4-propan-2-yloxypyrimidin-2-amine

5-chloro-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 80859950) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 5-chloro-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-propan-2-yloxypyrimidin-2-amine
PubChem CID80859950
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name5-chloro-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1nc(N)ncc1Cl
InChIInChI=1S/C7H10ClN3O/c1-4(2)12-6-5(8)3-10-7(9)11-6/h3-4H,1-2H3,(H2,9,10,11)
InChIKeyDLUNYWFGTNXKRT-UHFFFAOYSA-N
XLogP1.50
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine
CID 80877300
(5-chloro-4-propan-2-yloxypyrimidin-2-yl)hydrazine
CID 80913433
5-chloro-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869691
4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine
CID 80880367
3-chloro-5-ethyl-2-propan-2-yloxypyridine
CID 90064685
5-chloro-4-fluoro-3-propan-2-yl-2-propan-2-yloxypyridine
CID 71020615
5-chloro-4-(2-phenylphenoxy)pyrimidin-2-amine
CID 80866706
5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine
CID 80869678
5-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine
CID 106207418
4-chloro-6-propan-2-yloxypyrimidin-5-amine
CID 23477591
5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine
CID 80879754
5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine
CID 80874158

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of 5-chloro-4-propan-2-yloxypyrimidin-2-amine (CID 80859950) is 5-chloro-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1nc(N)ncc1Cl.
What is the InChIKey of 5-chloro-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is DLUNYWFGTNXKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-4(2)12-6-5(8)3-10-7(9)11-6/h3-4H,1-2H3,(H2,9,10,11).
What are the key properties of 5-chloro-4-propan-2-yloxypyrimidin-2-amine?
5-chloro-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 187.63 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 80859950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).