5-bromo-2,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine

C9H10BrN3 — CID 130729645

IUPAC5-bromo-2,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine
SMILESC#CCNc1nc(C)nc(C)c1Br
InChIInChI=1S/C9H10BrN3/c1-4-5-11-9-8(10)6(2)12-7(3)13-9/h1H,5H2,2-3H3,(H,11,12,13)
InChIKeyMROHDSWOGYJZFK-UHFFFAOYSA-N
MW240.10 g/mol
LogP1.90
Rot. Bonds2

About 5-bromo-2,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine

5-bromo-2,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine (PubChem CID 130729645) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 5-bromo-2,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine
PubChem CID130729645
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name5-bromo-2,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine
SMILESC#CCNc1nc(C)nc(C)c1Br
InChIInChI=1S/C9H10BrN3/c1-4-5-11-9-8(10)6(2)12-7(3)13-9/h1H,5H2,2-3H3,(H,11,12,13)
InChIKeyMROHDSWOGYJZFK-UHFFFAOYSA-N
XLogP1.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66304687
5-bromo-2,6-dimethyl-N-(3-methylbut-2-enyl)pyrimidin-4-amine
CID 130663098
5-bromo-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 136575153
5-bromo-N-(1-ethylcyclopropyl)-2,6-dimethylpyrimidin-4-amine
CID 131140802
(5-bromo-2,6-dimethylpyrimidin-4-yl)thiourea
CID 101075798
2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propanamide
CID 130639933
5-bromo-4-N-prop-2-ynyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467622
5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carboxylic acid
CID 62709795
5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 61096643
5-bromo-6-methyl-N,2-dipropylpyrimidin-4-amine
CID 66307676
2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol
CID 175104832
3-benzyl-5-methyl-N-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-amine
CID 43817718

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine (CID 130729645) is 5-bromo-2,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine is C#CCNc1nc(C)nc(C)c1Br.
What is the InChIKey of 5-bromo-2,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine?
The InChIKey is MROHDSWOGYJZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c1-4-5-11-9-8(10)6(2)12-7(3)13-9/h1H,5H2,2-3H3,(H,11,12,13).
What are the key properties of 5-bromo-2,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine?
5-bromo-2,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine has a molecular weight of 240.10 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine is sourced from PubChem (CID 130729645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).