5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine

C11H17BrN4 — CID 80775626

IUPAC5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(N(CC)C2CC2)n1
InChIInChI=1S/C11H17BrN4/c1-3-13-11-14-7-9(12)10(15-11)16(4-2)8-5-6-8/h7-8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyGRYPZYKCEVYABJ-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.66
Rot. Bonds5

About 5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine

5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine (PubChem CID 80775626) has the molecular formula C11H17BrN4 and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
PubChem CID80775626
Molecular FormulaC11H17BrN4
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC Name5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(N(CC)C2CC2)n1
InChIInChI=1S/C11H17BrN4/c1-3-13-11-14-7-9(12)10(15-11)16(4-2)8-5-6-8/h7-8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyGRYPZYKCEVYABJ-UHFFFAOYSA-N
XLogP2.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80845128
5-bromo-4-N-cyclopropyl-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80809068
5-bromo-4-N-cycloheptyl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80789656
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80774891
5-bromo-4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80790008
5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80776693
4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
CID 80776397
2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol
CID 80811535
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 80821171
5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
CID 107871827
5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 80774882
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875751

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine (CID 80775626) is 5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine is CCNc1ncc(Br)c(N(CC)C2CC2)n1.
What is the InChIKey of 5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine?
The InChIKey is GRYPZYKCEVYABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4/c1-3-13-11-14-7-9(12)10(15-11)16(4-2)8-5-6-8/h7-8H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine?
5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine has a molecular weight of 285.19 g/mol, XLogP of 2.66, 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-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80775626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).