5-bromo-2-N-ethyl-4-N-[(1-ethylcyclobutyl)methyl]pyrimidine-2,4-diamine

C13H21BrN4 — CID 114110032

IUPAC5-bromo-2-N-ethyl-4-N-[(1-ethylcyclobutyl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NCC2(CC)CCC2)n1
InChIInChI=1S/C13H21BrN4/c1-3-13(6-5-7-13)9-17-11-10(14)8-16-12(18-11)15-4-2/h8H,3-7,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyQBCMUGGJUWBOTP-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.66
Rot. Bonds6

About 5-bromo-2-N-ethyl-4-N-[(1-ethylcyclobutyl)methyl]pyrimidine-2,4-diamine

5-bromo-2-N-ethyl-4-N-[(1-ethylcyclobutyl)methyl]pyrimidine-2,4-diamine (PubChem CID 114110032) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-bromo-2-N-ethyl-4-N-[(1-ethylcyclobutyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-ethyl-4-N-[(1-ethylcyclobutyl)methyl]pyrimidine-2,4-diamine
PubChem CID114110032
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name5-bromo-2-N-ethyl-4-N-[(1-ethylcyclobutyl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NCC2(CC)CCC2)n1
InChIInChI=1S/C13H21BrN4/c1-3-13(6-5-7-13)9-17-11-10(14)8-16-12(18-11)15-4-2/h8H,3-7,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyQBCMUGGJUWBOTP-UHFFFAOYSA-N
XLogP3.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 103968689
[1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968793
2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 114102554
5-bromo-4-N-(2-cyclopentylethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80790917
1-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 80828340
5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80776985
N-[(1-ethylcyclobutyl)methyl]-5-fluoropyrimidin-2-amine
CID 103826198
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009560
5-bromo-2-N-ethyl-4-N-(4-methylpentan-2-yl)pyrimidine-2,4-diamine
CID 80782949
5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine
CID 106901022
5-bromo-N-ethyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80767151
5-bromo-2-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80829597

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-ethyl-4-N-[(1-ethylcyclobutyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-ethyl-4-N-[(1-ethylcyclobutyl)methyl]pyrimidine-2,4-diamine (CID 114110032) is 5-bromo-2-N-ethyl-4-N-[(1-ethylcyclobutyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-ethyl-4-N-[(1-ethylcyclobutyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-ethyl-4-N-[(1-ethylcyclobutyl)methyl]pyrimidine-2,4-diamine is CCNc1ncc(Br)c(NCC2(CC)CCC2)n1.
What is the InChIKey of 5-bromo-2-N-ethyl-4-N-[(1-ethylcyclobutyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is QBCMUGGJUWBOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c1-3-13(6-5-7-13)9-17-11-10(14)8-16-12(18-11)15-4-2/h8H,3-7,9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-2-N-ethyl-4-N-[(1-ethylcyclobutyl)methyl]pyrimidine-2,4-diamine?
5-bromo-2-N-ethyl-4-N-[(1-ethylcyclobutyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 313.24 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-ethyl-4-N-[(1-ethylcyclobutyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 114110032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).