2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine

C15H16ClN3O2 — CID 62915670

IUPAC2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2cc(Cl)c3c(c2)OCO3)nc(N)c1C(C)C
InChIInChI=1S/C15H16ClN3O2/c1-7(2)12-8(3)18-15(19-14(12)17)9-4-10(16)13-11(5-9)20-6-21-13/h4-5,7H,6H2,1-3H3,(H2,17,18,19)
InChIKeySJUISWLNKLEGSD-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.54
Rot. Bonds2

About 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine

2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 62915670) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID62915670
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2cc(Cl)c3c(c2)OCO3)nc(N)c1C(C)C
InChIInChI=1S/C15H16ClN3O2/c1-7(2)12-8(3)18-15(19-14(12)17)9-4-10(16)13-11(5-9)20-6-21-13/h4-5,7H,6H2,1-3H3,(H2,17,18,19)
InChIKeySJUISWLNKLEGSD-UHFFFAOYSA-N
XLogP3.54
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-bromo-1,3-benzodioxol-5-yl)-4-chloro-6-methyl-5-propan-2-ylpyrimidine
CID 63405600
2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine
CID 55063355
5-bromo-2-(7-chloro-1,3-benzodioxol-5-yl)-6-ethylpyrimidin-4-amine
CID 66296558
4-chloro-2-(7-chloro-1,3-benzodioxol-5-yl)-5-iodo-6-propan-2-ylpyrimidine
CID 66312270
6-tert-butyl-2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-amine
CID 62204219
4,6-dichloro-2-(7-chloro-1,3-benzodioxol-5-yl)-5-ethylpyrimidine
CID 63613158
6-methyl-2-(4-methylphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 62914005
4-chloro-6-propan-2-yl-1,3-benzodioxole
CID 58332059
2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 62202057
5-(7-chloro-1,3-benzodioxol-5-yl)-3-propan-2-ylimidazol-4-amine
CID 62019769
[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 62252059
[2-(7-chloro-1,3-benzodioxol-5-yl)-6-propylpyrimidin-4-yl]hydrazine
CID 62251286

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine (CID 62915670) is 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine is Cc1nc(-c2cc(Cl)c3c(c2)OCO3)nc(N)c1C(C)C.
What is the InChIKey of 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is SJUISWLNKLEGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-7(2)12-8(3)18-15(19-14(12)17)9-4-10(16)13-11(5-9)20-6-21-13/h4-5,7H,6H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 305.77 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 62915670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).