5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine

C11H19BrN4 — CID 80776693

IUPAC5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(N(C)C(C)CC)n1
InChIInChI=1S/C11H19BrN4/c1-5-8(3)16(4)10-9(12)7-14-11(15-10)13-6-2/h7-8H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyXOVQZKAUGXVXNA-UHFFFAOYSA-N
MW287.21 g/mol
LogP2.91
Rot. Bonds5

About 5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine

5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80776693) has the molecular formula C11H19BrN4 and a molecular weight of 287.21 g/mol. Its IUPAC name is 5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
PubChem CID80776693
Molecular FormulaC11H19BrN4
Molecular Weight287.21 g/mol
Exact Mass286.08
IUPAC Name5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(N(C)C(C)CC)n1
InChIInChI=1S/C11H19BrN4/c1-5-8(3)16(4)10-9(12)7-14-11(15-10)13-6-2/h7-8H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyXOVQZKAUGXVXNA-UHFFFAOYSA-N
XLogP2.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 80774882
5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
CID 107871827
5-bromo-4-N-cycloheptyl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80789656
3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80811125
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-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
CID 80775626
5-bromo-2-N-ethylpyrimidine-2,4-diamine
CID 80797744
5-bromo-2-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine
CID 80781899
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide
CID 80805068
5-bromo-4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80845128
5-bromo-2-N,4-N-diethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 80818351

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine (CID 80776693) is 5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine is CCNc1ncc(Br)c(N(C)C(C)CC)n1.
What is the InChIKey of 5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is XOVQZKAUGXVXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4/c1-5-8(3)16(4)10-9(12)7-14-11(15-10)13-6-2/h7-8H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine?
5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 287.21 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80776693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).