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

C14H22ClN3O — CID 82749492

IUPAC4-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-5-amine
SMILESCC(C)c1ncc(N(C)C2CCOC2C)c(CCl)n1
InChIInChI=1S/C14H22ClN3O/c1-9(2)14-16-8-13(11(7-15)17-14)18(4)12-5-6-19-10(12)3/h8-10,12H,5-7H2,1-4H3
InChIKeyOJNXSSQOODFXNY-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.95
Rot. Bonds4

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

4-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-5-amine (PubChem CID 82749492) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-5-amine
PubChem CID82749492
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-5-amine
SMILESCC(C)c1ncc(N(C)C2CCOC2C)c(CCl)n1
InChIInChI=1S/C14H22ClN3O/c1-9(2)14-16-8-13(11(7-15)17-14)18(4)12-5-6-19-10(12)3/h8-10,12H,5-7H2,1-4H3
InChIKeyOJNXSSQOODFXNY-UHFFFAOYSA-N
XLogP2.95
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine
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4-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine
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N-butan-2-yl-4-(chloromethyl)-N-ethyl-2-propan-2-ylpyrimidin-5-amine
CID 55032896
4-(chloromethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-5-amine
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4-(chloromethyl)-N-cyclopropyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-5-amine
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4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 62086379
2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
CID 114195297
N-methyl-5-[1-(methylamino)ethyl]-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
CID 82754018
4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
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1-[6-[methyl-(2-methyloxolan-3-yl)amino]-3-pyridinyl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 4-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-5-amine (CID 82749492) is 4-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 4-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-5-amine is CC(C)c1ncc(N(C)C2CCOC2C)c(CCl)n1.
What is the InChIKey of 4-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is OJNXSSQOODFXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-9(2)14-16-8-13(11(7-15)17-14)18(4)12-5-6-19-10(12)3/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 4-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-5-amine?
4-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 283.80 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 82749492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).