6-(4-bromophenoxy)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine

C14H17BrN4O2 — CID 19154133

IUPAC6-(4-bromophenoxy)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine
SMILESCOCC(C)Nc1ncnc(Oc2ccc(Br)cc2)c1N
InChIInChI=1S/C14H17BrN4O2/c1-9(7-20-2)19-13-12(16)14(18-8-17-13)21-11-5-3-10(15)4-6-11/h3-6,8-9H,7,16H2,1-2H3,(H,17,18,19)
InChIKeyGEOCHWIHVHPRNX-UHFFFAOYSA-N
MW353.22 g/mol
LogP3.06
Rot. Bonds6

About 6-(4-bromophenoxy)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine

6-(4-bromophenoxy)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine (PubChem CID 19154133) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-bromophenoxy)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine
PubChem CID19154133
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name6-(4-bromophenoxy)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine
SMILESCOCC(C)Nc1ncnc(Oc2ccc(Br)cc2)c1N
InChIInChI=1S/C14H17BrN4O2/c1-9(7-20-2)19-13-12(16)14(18-8-17-13)21-11-5-3-10(15)4-6-11/h3-6,8-9H,7,16H2,1-2H3,(H,17,18,19)
InChIKeyGEOCHWIHVHPRNX-UHFFFAOYSA-N
XLogP3.06
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154117
6-(4-bromophenoxy)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
CID 19142658
6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19149185
4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine
CID 19135526
4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144412
6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82455271
6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 19142963
N-(1-methoxypropan-2-yl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine
CID 23490772
6-(4-bromophenoxy)-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 19146183
6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80864200
6-(4-bromophenoxy)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19147998
6-(4-bromophenoxy)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542905

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-bromophenoxy)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine (CID 19154133) is 6-(4-bromophenoxy)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-bromophenoxy)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-bromophenoxy)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine is COCC(C)Nc1ncnc(Oc2ccc(Br)cc2)c1N.
What is the InChIKey of 6-(4-bromophenoxy)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine?
The InChIKey is GEOCHWIHVHPRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-9(7-20-2)19-13-12(16)14(18-8-17-13)21-11-5-3-10(15)4-6-11/h3-6,8-9H,7,16H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(4-bromophenoxy)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine?
6-(4-bromophenoxy)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine has a molecular weight of 353.22 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19154133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).