6-chloro-5-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-4-amine

C13H20ClN3O — CID 82728998

IUPAC6-chloro-5-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NC1CCOC1C
InChIInChI=1S/C13H20ClN3O/c1-7(2)12-16-11(14)8(3)13(17-12)15-10-5-6-18-9(10)4/h7,9-10H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyZZWVLKLWTPWXBR-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.15
Rot. Bonds3

About 6-chloro-5-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-4-amine

6-chloro-5-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 82728998) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID82728998
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name6-chloro-5-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NC1CCOC1C
InChIInChI=1S/C13H20ClN3O/c1-7(2)12-16-11(14)8(3)13(17-12)15-10-5-6-18-9(10)4/h7,9-10H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyZZWVLKLWTPWXBR-UHFFFAOYSA-N
XLogP3.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 82736266
6-chloro-N-(3,5-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80978639
6-chloro-5-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-ylpyrimidin-4-amine
CID 114123821
6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 82736485
6-chloro-N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970999
6-chloro-5-methyl-N-(4-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 113491272
2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 82736034
6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80973311
6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970249
6-chloro-5-methyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970598
4-N-(2,3-dimethylcyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992914
6-chloro-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80979023

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-4-amine (CID 82728998) is 6-chloro-5-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1NC1CCOC1C.
What is the InChIKey of 6-chloro-5-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZZWVLKLWTPWXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-7(2)12-16-11(14)8(3)13(17-12)15-10-5-6-18-9(10)4/h7,9-10H,5-6H2,1-4H3,(H,15,16,17).
What are the key properties of 6-chloro-5-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-5-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 269.78 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 82728998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).