6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine

C16H20BrN3 — CID 115503957

IUPAC6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cccc(Br)c2)nc(C(C)C)n1
InChIInChI=1S/C16H20BrN3/c1-4-8-18-15-10-14(19-16(20-15)11(2)3)12-6-5-7-13(17)9-12/h5-7,9-11H,4,8H2,1-3H3,(H,18,19,20)
InChIKeyRMDUYUPXZSXPTN-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.85
Rot. Bonds5

About 6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine

6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 115503957) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID115503957
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cccc(Br)c2)nc(C(C)C)n1
InChIInChI=1S/C16H20BrN3/c1-4-8-18-15-10-14(19-16(20-15)11(2)3)12-6-5-7-13(17)9-12/h5-7,9-11H,4,8H2,1-3H3,(H,18,19,20)
InChIKeyRMDUYUPXZSXPTN-UHFFFAOYSA-N
XLogP4.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952017
2-propan-2-yl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
CID 103341934
6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80948247
6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80949110
6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 115504032
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961112
6-(6-methoxy-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80948337
6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952418
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
2-(3-bromophenyl)-N-propylpyrimidin-4-amine
CID 55135437
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine (CID 115503957) is 6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(-c2cccc(Br)c2)nc(C(C)C)n1.
What is the InChIKey of 6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is RMDUYUPXZSXPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-4-8-18-15-10-14(19-16(20-15)11(2)3)12-6-5-7-13(17)9-12/h5-7,9-11H,4,8H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 334.26 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 115503957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).