5-bromo-2-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine

C13H17BrN4O — CID 80781899

IUPAC5-bromo-2-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(N(C)Cc2ccc(C)o2)n1
InChIInChI=1S/C13H17BrN4O/c1-4-15-13-16-7-11(14)12(17-13)18(3)8-10-6-5-9(2)19-10/h5-7H,4,8H2,1-3H3,(H,15,16,17)
InChIKeyCXFZADJZHGLPNV-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.21
Rot. Bonds5

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

5-bromo-2-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80781899) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 5-bromo-2-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80781899
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name5-bromo-2-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(N(C)Cc2ccc(C)o2)n1
InChIInChI=1S/C13H17BrN4O/c1-4-15-13-16-7-11(14)12(17-13)18(3)8-10-6-5-9(2)19-10/h5-7H,4,8H2,1-3H3,(H,15,16,17)
InChIKeyCXFZADJZHGLPNV-UHFFFAOYSA-N
XLogP3.21
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-2-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-chloro-4-N-ethyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80781663
5-bromo-2-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80847667
3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]propanenitrile
CID 80753514
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80799004
5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80776693
5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80788051
6-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 80773773
2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80764683
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 80799994
2-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine
CID 80776365
5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62280121
5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
CID 107871827

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine (CID 80781899) is 5-bromo-2-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine is CCNc1ncc(Br)c(N(C)Cc2ccc(C)o2)n1.
What is the InChIKey of 5-bromo-2-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is CXFZADJZHGLPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-4-15-13-16-7-11(14)12(17-13)18(3)8-10-6-5-9(2)19-10/h5-7H,4,8H2,1-3H3,(H,15,16,17).
What are the key properties of 5-bromo-2-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine?
5-bromo-2-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 325.21 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80781899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).