5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine

C16H29BrN4 — CID 107871827

IUPAC5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(N(CCC(C)C)CCC(C)C)n1
InChIInChI=1S/C16H29BrN4/c1-6-18-16-19-11-14(17)15(20-16)21(9-7-12(2)3)10-8-13(4)5/h11-13H,6-10H2,1-5H3,(H,18,19,20)
InChIKeyJGAWGQZOTAFKES-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.57
Rot. Bonds9

About 5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine

5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 107871827) has the molecular formula C16H29BrN4 and a molecular weight of 357.34 g/mol. Its IUPAC name is 5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID107871827
Molecular FormulaC16H29BrN4
Molecular Weight357.34 g/mol
Exact Mass356.16
IUPAC Name5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(N(CCC(C)C)CCC(C)C)n1
InChIInChI=1S/C16H29BrN4/c1-6-18-16-19-11-14(17)15(20-16)21(9-7-12(2)3)10-8-13(4)5/h11-13H,6-10H2,1-5H3,(H,18,19,20)
InChIKeyJGAWGQZOTAFKES-UHFFFAOYSA-N
XLogP4.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine
CID 107871847
5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 80774882
5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80776693
5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 80806443
3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80811125
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide
CID 80805068
5-bromo-2-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80847667
5-bromo-4-N-cycloheptyl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80789656
3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]propanenitrile
CID 80753514
5-bromo-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80801198
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 80821171
5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
CID 80775626

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine (CID 107871827) is 5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine is CCNc1ncc(Br)c(N(CCC(C)C)CCC(C)C)n1.
What is the InChIKey of 5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is JGAWGQZOTAFKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29BrN4/c1-6-18-16-19-11-14(17)15(20-16)21(9-7-12(2)3)10-8-13(4)5/h11-13H,6-10H2,1-5H3,(H,18,19,20).
What are the key properties of 5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine?
5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 357.34 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 107871827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).