6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine

C11H19BrN4O — CID 116797411

IUPAC6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine
SMILESCCCCOCCCNc1nc(N)cc(Br)n1
InChIInChI=1S/C11H19BrN4O/c1-2-3-6-17-7-4-5-14-11-15-9(12)8-10(13)16-11/h8H,2-7H2,1H3,(H3,13,14,15,16)
InChIKeyHNHORUFRDGQFMV-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.44
Rot. Bonds8

About 6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine

6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine (PubChem CID 116797411) has the molecular formula C11H19BrN4O and a molecular weight of 303.20 g/mol. Its IUPAC name is 6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine
PubChem CID116797411
Molecular FormulaC11H19BrN4O
Molecular Weight303.20 g/mol
Exact Mass302.07
IUPAC Name6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine
SMILESCCCCOCCCNc1nc(N)cc(Br)n1
InChIInChI=1S/C11H19BrN4O/c1-2-3-6-17-7-4-5-14-11-15-9(12)8-10(13)16-11/h8H,2-7H2,1H3,(H3,13,14,15,16)
InChIKeyHNHORUFRDGQFMV-UHFFFAOYSA-N
XLogP2.44
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine
CID 114004473
6-bromo-2-N-(2-cyclopentyloxyethyl)pyrimidine-2,4-diamine
CID 116795940
2-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine
CID 58841533
N-(2-butoxyethyl)-4,6-dimethylpyrimidin-2-amine
CID 61175879
4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol
CID 116796030
2-(3-butoxypropylamino)-6-methylpyrimidine-4-carbothioamide
CID 107548070
6-bromo-2-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
CID 116797393
6-bromo-2-N-but-2-ynylpyrimidine-2,4-diamine
CID 116797359
N-(3-butoxypropyl)-2,6-dimethylpyridin-4-amine
CID 114272189
3-[2-[(4-amino-6-bromopyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311435
6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 116795802
5-bromo-4-N-(3-butoxypropyl)pyridine-3,4-diamine
CID 103518486

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine (CID 116797411) is 6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine is CCCCOCCCNc1nc(N)cc(Br)n1.
What is the InChIKey of 6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine?
The InChIKey is HNHORUFRDGQFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O/c1-2-3-6-17-7-4-5-14-11-15-9(12)8-10(13)16-11/h8H,2-7H2,1H3,(H3,13,14,15,16).
What are the key properties of 6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine?
6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine has a molecular weight of 303.20 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116797411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).