5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine

C12H21BrN4 — CID 80774882

IUPAC5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(c1nc(NCC)ncc1Br)C(C)C
InChIInChI=1S/C12H21BrN4/c1-5-7-17(9(3)4)11-10(13)8-15-12(16-11)14-6-2/h8-9H,5-7H2,1-4H3,(H,14,15,16)
InChIKeySENDPFGJRCQAIG-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.30
Rot. Bonds6

About 5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine

5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine (PubChem CID 80774882) has the molecular formula C12H21BrN4 and a molecular weight of 301.23 g/mol. Its IUPAC name is 5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
PubChem CID80774882
Molecular FormulaC12H21BrN4
Molecular Weight301.23 g/mol
Exact Mass300.09
IUPAC Name5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(c1nc(NCC)ncc1Br)C(C)C
InChIInChI=1S/C12H21BrN4/c1-5-7-17(9(3)4)11-10(13)8-15-12(16-11)14-6-2/h8-9H,5-7H2,1-4H3,(H,14,15,16)
InChIKeySENDPFGJRCQAIG-UHFFFAOYSA-N
XLogP3.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80811125
5-bromo-4-N-pentyl-4-N-propan-2-yl-2-N-propylpyrimidine-2,4-diamine
CID 80810000
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80811547
5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
CID 107871827
5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80776693
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80810772
5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 80775301
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-cycloheptyl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80789656
5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
CID 80775626
5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 80806443

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine (CID 80774882) is 5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine is CCCN(c1nc(NCC)ncc1Br)C(C)C.
What is the InChIKey of 5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is SENDPFGJRCQAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4/c1-5-7-17(9(3)4)11-10(13)8-15-12(16-11)14-6-2/h8-9H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine?
5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 301.23 g/mol, XLogP of 3.30, 6 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-propan-2-yl-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80774882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).